CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

CFam Family Information

CFAM Family ID CFFID4035
Family Name Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Family
No. of Seeds 24 No. of Other Members 73
Family Centroid CFAMM00301446 Functional Category Investigative Drug with Human Metabolite & Natural Product
Superfamily Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-(4-methoxybenzyl)methylphenidate Superfamily
Class Class 2973

Cousin Family NamesSeedsMembers
Noradrenergic re-uptake and Serotonin re-uptake inhibitor bicy... 6 375
Melatonin receptor type 1A and Melatonin receptor type 1B liga... 61 433
Oestrogen receptor Ligand triphenyl ethylene stilbene derivati... 22 420
Histamine H1 receptor Ligand Doxepin Family 8 89
Serotonin re-uptake Inhibitor Fluoxetine Family 18 682
Alpha adrenergic receptor Ligand Phenoxybenzamine Family 4 63
Potassium voltage-gated channel subfamily H member 2 Ligand Am... 2 16
Sodium channel protein type 5 subunit alpha Ligand Dyclonine F... 6 174
Sodium channel protein type 5 subunit alpha Ligand Encainide F... 4 248
Acetylcholinesterase Inhibitor Donepezil Family 23 242
Noradrenergic re-uptake Inhibitor Reboxetine Family 26 206
Synaptic vesicular amine transporter Inhibitor Tetrabenazine F... 13 425
Dopamine reuptake and Noradrenergic re-uptake Inhibitor Cocain... 13 136
Muscarinic acetylcholine receptor Ligand Methantheline Family 6 8
Muscarinic acetylcholine receptor Ligand Flavoxate Family 9 350
Muscarinic acetylcholine receptor M3 Ligand Darifenacin Family 3 17
Mu-type opioid receptor Ligand Alvimopan Family 32 325
Vitamin K-dependent gamma-carboxylase Inhibitor Anisindione Fa... 3 243
Muscarinic acetylcholine receptor Ligand Mebeverine Family 2 27
Zucapsacin family 7 177
Sodium-dependent dopamine transporter Inhibitor Ioflupane I-12... 130 181
Melatonin receptor type 1A Ligand Agomelatine Family 12 164
Sodium- and chloride-dependent glycine transporter 1 Inhibitor... 6 33
Substance-P receptor Ligand DA-5018 Family 14 73
Cytochrome P450 2D6 and Delta-type opioid receptor Ligand 4-(s... 17 381
Squalene synthase Inhibitor (z)-3-[2-(9h-fluoren-2-yloxy)ethyl... 12 92
Alpha-2C adrenergic receptor Ligand ARC239 Family 15 23
Delta-type opioid receptor Ligand Bw 373u86 Family 31 146
C-C chemokine receptor type 5 Ligand E-913 Family 6 44
Sodium- and chloride-dependent GABA transporter 3 Inhibitor SN... 1 4
Histamine H3 receptor Ligand A-331440 Family 6 7
Histamine H3 receptor Ligand UCL-2138 Family 23 172
5-hydroxytryptamine receptor 2A and D(2) dopamine receptor Lig... 3 89
Disintegrin and metalloproteinase domain-containing protein 17... 25 36
Potassium voltage-gated channel subfamily A member 3 Ligand 2-... 9 92
Adenosine receptor A3 and Mu-type opioid receptor Ligand GBR-1... 80 110
Histone deacetylase 1 and Histone deacetylase 2 Inhibitor 7-(b... 4 42
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 8 66
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 7 22
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor Lig... 2 14
Histamine H3 receptor Ligand A-349821 Family 49 228
Acetylcholinesterase and Cholinesterase Inhibitor 3-[7-(benzyl... 22 303
Interstitial collagenase Inhibitor N-hydroxycarbamoylmethyl-4-... 5 24
Mitogen-activated protein kinase 14 Inhibitor N-(4-(trifluorom... 8 39
Cannabinoid receptor 1 Ligand N-(4-methoxyphenethyl)oleamide F... 10 36
3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-ster... 2 56
Angiopoietin-1 receptor and Cyclin-dependent kinase 1 Inhibito... 2 10
Caspase-3 Inhibitor 2-(4-methoxy-benzyl)isoquinoline-1,3,4-tri... 2 2
Melanin-concentrating hormone receptor 1 Ligand N-(1-benzylpip... 9 57
Amyloid beta A4 protein Inhibitor 6-iodo-4'-methylaminoflavone... 3 33
Voltage-dependent T-type calcium channel subunit alpha-1H Liga... 5 26
Acetylcholinesterase and Cholinesterase Inhibitor Caproctamine... 7 17
Neutrophil elastase and Urokinase-type plasminogen activator I... 1 3
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 5 41
Histamine H3 receptor and Sodium-dependent serotonin transport... 25 28
Fatty-acid amide hydrolase 1 Inhibitor 3'-carbamoylbiphenyl-3-... 8 50
Kappa-type opioid receptor and Mu-type opioid receptor Ligand ... 18 13
Delta-type opioid receptor and Kappa-type opioid receptor Liga... 5 11
Sodium-dependent serotonin transporter Inhibitor 4-(2-((dimeth... 3 1
Urotensin-2 receptor Ligand SB-436811 Family 6 71
5-hydroxytryptamine receptor 2A and D(1A) dopamine receptor Li... 8 33
Squalene synthase Inhibitor 3-[7'-(methoxy)-napht-2'-yl]-quinu... 53 30
Proto-oncogene tyrosine-protein kinase receptor Ret Ligand (z)... 1 60
Sodium-dependent dopamine transporter and Sodium-dependent nor... 3 3
Kappa-type opioid receptor Ligand 3-(1-benzylpiperidin-4-yloxy... 24 54
Arachidonate 5-lipoxygenase Inhibitor 2-(4-butoxy-phenyl)-n-hy... 3 9
D(2) dopamine receptor Ligand Epidepride Family 31 66
Potassium voltage-gated channel subfamily KQT member 1 Ligand ... 5 17
Mu-type opioid receptor Ligand Cyprodime Family 12 8
Alpha-2A adrenergic receptor and Alpha-2B adrenergic receptor ... 2 3
Acetylcholinesterase Inhibitor 6-methyl-4-(4-benzoylpiperazin-... 2 6
Sodium-dependent dopamine transporter Inhibitor (+/-)-threo-n-... 4 62
Glycine receptor subunit beta Ligand ORG-25543 Family 10 153
72 kDa type IV collagenase and Matrix metalloproteinase-9 inhi... 2 2
Vasopressin V1a receptor and Vasopressin V2 receptor ligand (3... 2 0
Muscarinic acetylcholine receptor M2 and Muscarinic acetylchol... 8 36
Prostaglandin E2 receptor EP3 subtype and Prostaglandin E2 rec... 55 36
Neutrophil elastase inhibitor (2S)-N-[(3S)-6-benzamido-5,5-dif... 6 10
Sigma non-opioid intracellular receptor 1 and Mu-type opioid r... 7 5
Sodium-dependent dopamine transporter and Muscarinic acetylcho... 2 1
Sodium-dependent dopamine transporter and Sodium-dependent ser... 4 1
Sigma non-opioid intracellular receptor 1 and 5-hydroxytryptam... 20 9
Glutamate receptor ionotropic, kainate 2 ligand (2S,3S,4S)-4-[... 4 10
Muscarinic acetylcholine receptor M2 and Muscarinic acetylchol... 5 0
Sodium-dependent dopamine transporter and Transporter inhibito... 5 1
Peptidyl-prolyl cis-trans isomerase FKBP1A and Peptidyl-prolyl... 4 27
Sodium-dependent dopamine transporter and Sodium-dependent ser... 3 18
Multidrug resistance protein 1 inhibitor 1-[2-[(2R)-3-[4-(2,3-... 2 41
Lethal(3)malignant brain tumor-like protein 1 and Lysine-speci... 1 6
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 1 1
Prelamin-A/C and Nuclear receptor ROR-gamma ligand CHEMBL14038... 1 9
Mu-type opioid receptor ligand 3-[(3R,4R)-1-[(2,4-dimethoxyphe... 2 4
5-hydroxytryptamine receptor 2A and Potassium voltage-gated ch... 2 8
Prelamin-A/C inhibitor CHEMBL1495780 family 1 4
Prelamin-A/C and Retinal dehydrogenase 1 inhibitor CHEMBL15810... 1 1
Prelamin-A/C and Beta-lactamase inhibitor CHEMBL1589265 family 1 0
Sigma non-opioid intracellular receptor 1 and D(2) dopamine re... 11 2
Histamine H1 receptor ligand Ahr 5333 family 1 6
Sigma non-opioid intracellular receptor 1 ligand methyl (1R,2S... 4 0
Histamine H3 receptor ligand SureCN2785624 family 2 0
Histamine H3 receptor ligand SureCN2784769 family 12 2
Histamine H3 receptor ligand SureCN2785131 family 7 1
Substance-P receptor ligand 3-[bis(4-fluorophenyl)methyl]-1-[(... 5 2
Substance-P receptor ligand 3-[bis(4-fluorophenyl)methyl]-1-[(... 2 0
Sigma non-opioid intracellular receptor 1 and Vesicular acetyl... 3 7
Histamine H3 receptor and Sodium-dependent serotonin transport... 15 1
C-C chemokine receptor type 2 and Potassium voltage-gated chan... 2 3
Orexin receptor type 1 and Orexin receptor type 2 ligand [(2S)... 3 1
Melatonin receptor type 1B and Melatonin receptor type 1A liga... 1 28
3-beta-hydroxysteroid-Delta(8),Delta(7)-isomerase and Sigma no... 2 4
Histamine H3 receptor ligand 1-[[4-[4-[(1R)-4-(4-methoxyphenox... 2 1
Cytochrome P450 1A2 and Cytochrome P450 3A4 inhibitor 4-[4-[2-... 2 3
Neuronal acetylcholine receptor subunit alpha-7 ligand 2,7-bis... 3 0
Sodium-dependent serotonin transporter and Sodium-dependent do... 1 0
Nociceptin receptor and Kappa-type opioid receptor ligand AGN-... 1 3
Histamine H3 receptor and Cytochrome P450 2D6 ligand ethyl 4-[... 5 5
Histamine H3 receptor ligand 2-(3,3-difluoropyrrolidin-1-yl)-1... 2 0
Potassium voltage-gated channel subfamily H member 2 and Melan... 5 4
Sodium-dependent dopamine transporter and Transporter inhibito... 1 0
Mu-type opioid receptor and Delta-type opioid receptor ligand ... 15 4
Histamine H3 receptor and Sodium-dependent serotonin transport... 6 1
Sodium-dependent serotonin transporter and Histamine H3 recept... 7 0
C-C chemokine receptor type 5 ligand 4-[4-[[4-[(5R)-3-cyclohex... 4 2
Histamine H3 receptor and Sodium-dependent serotonin transport... 3 6
Cannabinoid receptor 1 ligand AGN-PC-03RV6L family 10 3
Sodium-dependent serotonin transporter and Sodium-dependent do... 1 1
Delta-type opioid receptor and Mu-type opioid receptor ligand ... 4 15
Sodium-dependent dopamine transporter and Sodium-dependent ser... 3 0
Histamine H3 receptor ligand SureCN7244264 family 1 0
Integrin beta-3 and Integrin alpha-IIb inhibitor (3R)-3-(1,3-b... 4 2
Sodium-dependent dopamine transporter and Sodium-dependent ser... 2 6
Muscarinic acetylcholine receptor M2 and Muscarinic receptor M... 2 2
Acetylcholinesterase and Cholinesterase inhibitor AGN-PC-04X9O... 2 1
Acetylcholinesterase and Butyrylcholinesterase inhibitor 2-[4-... 3 2
Sodium-dependent serotonin transporter and Sodium-dependent do... 3 2
Sodium-dependent dopamine transporter and Sodium-dependent ser... 5 1
Histamine H3 receptor and D(3) dopamine receptor ligand AGN-PC... 1 0
C-C chemokine receptor type 5 ligand (4-chlorophenyl) N-[1-[(4... 2 2
Neuronal acetylcholine receptor subunit alpha-7 and Neuronal a... 2 4
Free fatty acid receptor 1 ligand (3R,4R)-3-[4-(3,4-dimethylph... 4 4
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 3 2
Histamine H3 receptor and Histamine H1 receptor ligand AGN-PC-... 1 0
Sodium-dependent serotonin transporter and Sodium-dependent do... 1 0
Kappa-type opioid receptor ligand N-[(1S)-2-[(3S)-3-hydroxypyr... 2 0
Lanosterol synthase inhibitor AGN-PC-07BZTC family 1 3
Muscarinic acetylcholine receptor M3 and Muscarinic acetylchol... 1 0
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 1 0
Arachidonate 5-lipoxygenase and Prostaglandin G/H synthase 1 i... 1 12
Transporter and Sodium-dependent dopamine transporter inhibito... 2 0
Histamine H1 receptor and 5-hydroxytryptamine receptor 2A liga... 4 1
Sodium- and chloride-dependent GABA transporter 1 inhibitor (3... 2 1
Trace amine-associated receptor 1 ligand SureCN13886619 family 1 1
Peptidyl-prolyl cis-trans isomerase FKBP1A inhibitor AGN-PC-07... 2 6
Arachidonate 5-lipoxygenase and Arachidonate 15-lipoxygenase i... 1 2
Sodium-dependent dopamine transporter inhibitor methyl (2R)-2-... 4 3
Collagenase 3 inhibitor ethyl 4-[4-[2-[(3S)-3-hydroxy-1-azabic... 1 0
Multidrug resistance protein 1 inhibitor 1-[4-[(2R)-2-hydroxy-... 1 0
Transient receptor potential cation channel subfamily V member... 1 0
Reverse transcriptase/RNaseH inhibitor Thiazoloisoindol-5-one ... 1 2
Lysosomal alpha-glucosidase inhibitor MLS000587024 family 1 0
Thyroid hormone receptor beta ligand 3-(4-acetylpiperazin-1-yl... 3 2
Putative NP ZINC04061066 Family 18 0
oxybenzoate NP ZINC04029407 Family 4 1
Putative NP ZINC04029215 Family 6 0
Putative NP ZINC38201335 Family 8 0
Putative NP ZINC04028664 Family 2 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00301520 CHEMBL426724 Bioactive methyl 2-[(4-benzylpiperidin-1-yl)methyl]-1-(4-methoxyphenyl)cyclopropane-1-carboxylate
CFAMM00301483 CHEMBL458072 Bioactive methyl (1R,3S,4S,5R)-3-(3-fluoro-4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
CFAMM00301448 CHEMBL1817892 Bioactive 3-benzhydryl-1-[(2-methoxy-5-propan-2-ylphenyl)methyl]piperidin-4-one;hydrochloride
CFAMM00301526 CHEMBL328597 Bioactive phenyl (1R,4S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301505 CHEMBL607099 Bioactive phenyl (1R,3S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301462 CHEMBL1817888 Bioactive 3-[bis(4-fluorophenyl)methyl]-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
CFAMM00301525 CHEMBL340912 Bioactive phenyl 8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301481 CHEMBL1817829 Bioactive 3-[bis(4-fluorophenyl)methyl]-1-[(2-methoxyphenyl)methyl]piperidin-4-one;hydrochloride
CFAMM00301524 CHEMBL2373744 Bioactive methyl (1R,3S,4S)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301502 CHEMBL371349 Bioactive CHEMBL371349
CFAMM00301530 CHEMBL333766 Bioactive methyl (3R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301480 CHEMBL458488 Bioactive methyl (1R,3S,4S,5R)-3-(4-ethoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
CFAMM00301495 CHEMBL51454 Bioactive AGN-PC-073RIX
CFAMM00301479 CHEMBL537464 Bioactive AGN-PC-07C1EE
CFAMM00301494 CHEMBL512202 Bioactive methyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
CFAMM00301485 CHEMBL1947093 Bioactive methyl (1S,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301500 CHEMBL574081 Bioactive methyl (3S,4S)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301528 CHEMBL457635 Bioactive cyclopropyl (1R,3S,4S,5R)-3-(4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
CFAMM00301542 CHEMBL98271 Bioactive AGN-PC-003MQ5
CFAMM00301493 CHEMBL195475 Bioactive CHEMBL195475
CFAMM00301534 CHEMBL457415 Bioactive methyl (1R,3S,4S,5R)-3-(3-iodo-4-methoxyphenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate;hydrochloride
CFAMM00301540 CHEMBL86165 Bioactive phenyl (1R,3S,4S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octane-4-carboxylate
CFAMM00301446 DNC014462 Investigative Drug (+/-)-threo-N-(4-Methoxybenzyl)methylphenidate

Statistics of CFAM Database

 
CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.
 

How to cite our database

 
C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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