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 CFFBM10844
Family Name Substance-P receptor ligand Netupitant family
No. of Seeds 5 No. of Other Members 2
Family Centroid CFAMM00404920 Functional Category Bioactive
Superfamily Substance-P receptor and Neuromedin-K receptor Binder Superfamily
Class Class 1006

Cousin Family NamesSeedsMembers
Gamma-aminobutyric acid A receptor Ligand imidazopyridine deri... 5 644
Mast/stem cell growth factor receptor Kit and Abelson tyrosine... 6 537
Reverse transcriptase Inhibitor Nevirapine Family 23 640
Prothrombin Inhibitor Dabigatran Family 7 182
Receptor-type tyrosine-protein kinase FLT3 and Mast/stem cell ... 5 129
Transient receptor potential cation channel subfamily V member... 16 295
Calcitonin gene-related peptide type 1 receptor Ligand Telcage... 25 124
Mitogen-activated protein kinase 12 Inhibitor VX-702 Family 3 49
C-C chemokine receptor type 5 Ligand Vicriviroc Family 4 31
Mast/stem cell growth factor receptor Kit and Vascular endothe... 4 47
Translocator protein Inhibitor Emapunil Family 7 89
Substance-P receptor Ligand TAK-637 Family 18 63
Histone deacetylase 6 Inhibitor ACY-1215 Family 10 230
JAK Inhibitor Momelotinib Family 33 83
C-C chemokine receptor type 3 Ligand YM-344031 Family 19 106
XL-888 family 16 85
Class II cytokine receptor Ligand IL-10 Family 7 45
Fibroblast growth factor receptor 2 Ligand Interferon Alfa (if... 14 162
Beta-secretase 1 Inhibitor N~3~-(3-pyridin-3-ylbenzyl)pyridine... 31 66
Serine/threonine-protein kinase B-raf Inhibitor 2-(benzylamino... 7 117
D(2) dopamine receptor and D(3) dopamine receptor Ligand Azape... 7 102
Cyclin-dependent kinase 4 Inhibitor 1-(9-oxo-9h-fluoren-4-yl)-... 3 5
Adenosine receptor A3 Ligand 1-benzyl-1h-1,3,4b,9-tetraaza-flu... 19 165
Histamine H3 receptor Ligand 2-(4-isopropyl-piperazin-1-yl)-qu... 17 29
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 19 103
D(2) dopamine receptor and D(3) dopamine receptor Ligand A-706... 4 20
Metabotropic glutamate receptor 5 Ligand 3-cyano-n-(6-methylpy... 4 3
Adenosine receptor A1 and Adenosine receptor A3 Ligand VUF-850... 28 47
Adenosine receptor A1 Ligand N-(4,6-diphenylpyrimidin-2-yl)ben... 4 8
C-C chemokine receptor type 5 Ligand GT-1282 Family 21 14
Nitric oxide synthase, inducible and Nitric oxide synthase, br... 4 6
RAF proto-oncogene serine/threonine-protein kinase Inhibitor L... 219 124
Adenosine receptor A1 and Adenosine receptor A2a Ligand OSIP-3... 4 31
Calcitonin gene-related peptide type 1 receptor Ligand Isomer ... 30 31
Hydroxycarboxylic acid receptor 2 Ligand 2-(6-phenylhexyl)pyri... 4 11
Bifunctional epoxide hydrolase 2 Inhibitor 6-amino-n-(2,4-dich... 10 116
Mitogen-activated protein kinase 14 Inhibitor N-(4-fluorobenzy... 19 32
Proto-oncogene tyrosine-protein kinase Src Inhibitor 5,7-diphe... 2 11
Glutamate receptor 1 Ligand Piriqualone Family 8 67
Vasopressin V1a receptor and Vasopressin V1b receptor Ligand D... 10 19
Metabotropic glutamate receptor 5 Ligand 3-cyano-5-fluoro-n-(p... 2 9
Tubulin beta chain Inhibitor 2-m-tolyl-1h-[1,8]naphthyridin-4-... 5 2
Reverse transcriptase/RNaseH inhibitor AC1LAJTF family 6 5
5-hydroxytryptamine receptor 1F and 5-hydroxytryptamine recept... 8 12
Neuromedin-K receptor and Substance-P receptor ligand AGN-PC-0... 18 0
Orexin receptor type 2 and Orexin receptor type 1 ligand SureC... 2 3
Mu-type opioid receptor and Mu-type opioid receptor ligand Sur... 5 10
Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor (2R)-... 1 0
Integrin beta-3 and Integrin alpha-V inhibitor SureCN547914 fa... 8 32
ALK tyrosine kinase receptor ligand SureCN1600195 family 1 1
Substance-P receptor ligand (3R,4S)-N-[[3,5-bis(trifluoromethy... 3 7
Serine/threonine-protein kinase D1 inhibitor SureCN1424142 family 13 8
Serine/threonine-protein kinase pim-2 and Serine/threonine-pro... 6 9
Histamine H3 receptor ligand 1-[1-[1-[(2-aminopyridin-4-yl)met... 16 9
Disintegrin and metalloproteinase domain-containing protein 17... 2 11
Prothrombin and Cationic trypsin inhibitor tert-butyl N-[(2R)-... 4 3
Cathepsin K and Potassium voltage-gated channel subfamily H me... 4 7
Serine/threonine-protein kinase mTOR and RAC-alpha serine/thre... 3 3
Coagulation factor X inhibitor AGN-PC-075AY8 family 28 21
5-hydroxytryptamine receptor 1A ligand AGN-PC-03ZB72 family 10 8
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 9 19
Tyrosine-protein kinase JAK2 and Potassium voltage-gated chann... 2 7
Mitogen-activated protein kinase 1 and Cytochrome P450 3A4 inh... 1 0
Glucosylceramidase and Alpha-galactosidase A inhibitor AC1NNEG... 4 5
C-C chemokine receptor type 5 ligand AC1LA25C family 3 6
Reverse transcriptase/RNaseH inhibitor Dipyridodiazepinone der... 1 8
5-hydroxytryptamine receptor 1A and D(2) dopamine receptor lig... 2 1
Cellular tumor antigen p53 inhibitor CHEMBL1551403 family 1 0
Prelamin-A/C and Cellular tumor antigen p53 inhibitor CHEMBL16... 1 7
Metabotropic glutamate receptor 2 ligand AGN-PC-09QJ9P family 2 7
Metabotropic glutamate receptor 2 and Metabotropic glutamate r... 5 3
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 3 1
C-X-C chemokine receptor type 3 ligand SureCN13205646 family 4 0
Corticotropin-releasing factor receptor 1 ligand Pyridopyrazin... 3 5
B1 bradykinin receptor ligand AGN-PC-005XAO family 3 17
B1 bradykinin receptor ligand 6-(8-fluoro-4-methyl-1-oxophthal... 3 0
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 18 5
Substance-P receptor and Neuromedin-K receptor ligand 2-[3,5-b... 7 0
5-hydroxytryptamine receptor 3A and 5-hydroxytryptamine recept... 9 6
MAP kinase-activated protein kinase 2 inhibitor 4-fluoro-N-[4-... 25 1
5-hydroxytryptamine receptor 1B and 5-hydroxytryptamine recept... 3 2
Dipeptidyl peptidase 4 and Potassium voltage-gated channel sub... 9 0
Dipeptidyl peptidase 4 and Cytochrome P450 3A4 inhibitor 6-[(3... 10 0
5-hydroxytryptamine receptor 2A and 5-hydroxytryptamine recept... 5 3
5-hydroxytryptamine receptor 1D and 5-hydroxytryptamine recept... 10 0
Mast/stem cell growth factor receptor Kit and Mitogen-activate... 4 2
Mitogen-activated protein kinase 14 and Mitogen-activated prot... 1 1
D(3) dopamine receptor and D(2) dopamine receptor ligand SureC... 3 0
Protein kinase C theta type and Leucine-rich repeat serine/thr... 1 1
5-hydroxytryptamine receptor 3A ligand 3-methyl-N-[7-[[3-methy... 2 0
Mitogen-activated protein kinase 10 and Mitogen-activated prot... 8 5
Receptor activity-modifying protein 1 and Calcitonin gene-rela... 9 0
Substance-P receptor ligand 2-[3,5-bis(trifluoromethyl)phenyl]... 3 1
Oxytocin receptor ligand (3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)... 1 0
Egl nine homolog 2 and Egl nine homolog 1 inhibitor 8-[(3-meth... 3 1
B1 bradykinin receptor ligand methyl 2-fluoro-6-[3-fluoro-4-[[... 22 11
Protein kinase C theta type inhibitor (2-aminopyridin-3-yl)-[6... 4 1
Substance-P receptor and Neuromedin-K receptor ligand 2-[3,5-b... 6 0
Glycogen synthase kinase-3 beta inhibitor 2-(4-fluorophenyl)-N... 4 2
Corticotropin-releasing factor receptor 1 ligand 4-(1-cyclopro... 3 0
Lysine--tRNA ligase inhibitor N-[2-(2-piperazin-1-ylpyridin-4-... 5 0
Aurora kinase A and Aurora kinase B inhibitor 4-fluoro-N-[4-[(... 6 1
B1 bradykinin receptor ligand methyl 2-[4-[(1R)-1-[[3-[(2-cyan... 8 7
Melanin-concentrating hormone receptor 1 ligand 6-(4-chlorophe... 8 1
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 9 0
Microsomal triglyceride transfer protein large subunit inhibit... 13 0
Melanin-concentrating hormone receptor 1 and Melanin-concentra... 9 2
Succinate receptor 1 ligand N-[[4-(3-methylphenyl)phenyl]methy... 2 14
Smoothened homolog inhibitor 3-pyridin-3-yl-N-[1-[[6-[4-[(3-py... 1 0
5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine recept... 1 1
ALK tyrosine kinase receptor ligand N-[6-[[4-(2-hydroxypropan-... 2 0
Transient receptor potential cation channel subfamily V member... 57 4
Cathepsin K and Cathepsin S inhibitor 2-Cyano-pyrimidine, 17d ... 5 9
Substance-P receptor and Neuromedin-K receptor ligand 2-[3,5-b... 4 0
Serine/threonine-protein kinase TBK1 inhibitor N-[3-[[5-cyclop... 5 0
Corticosteroid 11-beta-dehydrogenase isozyme 1 inhibitor SureC... 6 0
B1 bradykinin receptor ligand N-[4-chloro-2-[[(1R)-1-[4-[3-flu... 5 5
Dipeptidyl peptidase 4 inhibitor (4R,5R)-5-amino-1-[6-(3-methy... 2 5
Dipeptidyl peptidase 4 and Dipeptidyl peptidase 2 inhibitor 6-... 1 0
G-protein coupled bile acid receptor 1 ligand 2-(ethylamino)-6... 5 4
Translocator protein inhibitor CHEMBL2331870 family 2 0
Integrin alpha-V and Integrin beta-6 inhibitor 3-[[2-[4-[(4-me... 4 3
Dipeptidyl peptidase 4 and Cytochrome P450 2D6 inhibitor (3R)-... 4 12
Corticosteroid 11-beta-dehydrogenase isozyme 1 and Corticoster... 2 0
Beta-secretase 1 and Beta-secretase 2 inhibitor SureCN14726714... 4 1
Bifunctional epoxide hydrolase 2 and Cytochrome P450 2C9 inhib... 3 0
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subun... 1 1
Adenosine receptor A3 and Adenosine receptor A1 ligand 2-pheny... 9 2
Calcitonin gene-related peptide type 1 receptor ligand (2R)-5-... 1 0
Orexin receptor type 2 and Orexin receptor type 1 ligand SureC... 2 0
C-C chemokine receptor type 5 ligand N-[3-[4-[3-cyclohexyl-5-(... 5 4
Histamine H3 receptor ligand [1-[(2-aminopyridin-4-yl)methyl]-... 7 0
Histamine H3 receptor ligand [1-[(2-aminopyridin-4-yl)methyl]-... 2 0
Histone deacetylase 1 inhibitor 1-methyl-N-[(1S)-7-oxo-1-(5-qu... 2 3
Phospholipase D1 and Phospholipase D2 inhibitor SureCN10311349... 2 14
Macrophage colony-stimulating factor 1 receptor and Mast/stem ... 27 4
Metabotropic glutamate receptor 2 ligand 8-(2,5-difluorophenyl... 6 2
Cathepsin K inhibitor 4-[2,2-dimethylpropyl-[[4-[3-(4-piperidi... 2 0
Alpha-1A adrenergic receptor and Alpha-1B adrenergic receptor ... 3 0
Dihydrofolate reductase and Bifunctional dihydrofolate reducta... 3 2
Alpha-1A adrenergic receptor and Alpha-1D adrenergic receptor ... 2 0
Macrophage colony-stimulating factor 1 receptor ligand N-[3-[(... 5 0
Transient receptor potential cation channel subfamily V member... 1 0
cAMP-specific 3',5'-cyclic phosphodiesterase 4A and Potassium ... 2 0
Beta-secretase 1 and Beta-secretase 2 inhibitor SureCN4964150 ... 3 0
Poly [ADP-ribose] polymerase 1 inhibitor Piperazine analogue, ... 4 0
Melanin-concentrating hormone receptor 1 and Alpha-2A adrenerg... 1 1
Cannabinoid receptor 2 ligand AGN-PC-00SRU5 family 2 0
Metabotropic glutamate receptor 1 ligand [(3aS,6aR)-2-(6-fluor... 1 0
Beta-lactamase inhibitor CHEMBL1497312 family 1 0


CFAM Mol ID

External ID

Functional Category

Molecule Name

CFAMM00404922 CHEMBL206488 Bioactive N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CFAMM00404920 CHEMBL206253 Bioactive Netupitant
CFAMM00404926 CHEMBL380510 Bioactive AGN-PC-0760FY
CFAMM00404924 CHEMBL381081 Bioactive N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CFAMM00404923 CHEMBL383125 Bioactive AGN-PC-0760BV

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
 

 

39120 visits since 2014 .........

 



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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