CFam Chemical Families Database
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You are searching for "CFAMM00258715" in compound.

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CFAM Mol ID CFAMM00258715
Family CFFID2068 Delta-type opioid receptor and Mu-type opioid receptor Ligand H-dmt-tic-d-asp-n(me)-ph Family
Superfamily CFSID1543 Mu-type opioid receptor and Delta-type opioid receptor Binder Superfamily 4
Class CFCID992 Class 2342
External ID DNC013686 External Source TTD
PubChem CID 25033947 Functional Category Investigative Drug
Molecule Name H-Dmt-Tic-D-Asp-N(Me)-Ph
IUPAC Name (3R)-3-[[(3S)-2-[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4-(N-methylanilino)-4-oxobutanoic acid
Synonyms H-Dmt-Tic-D-Asp-N(Me)-Ph;CHEBI:610281;DNC013686
InChi InChI=1S/C32H36N4O6/c1-19-13-24(37)14-20(2)25(19)16-26(33)31(41)36-18-22-10-8-7-9-21(22)15-28(36)30(40)34-27(17-29(38)39)32(42)35(3)23-11-5-4-6-12-23/h4-14,26-28,37H,15-18,33H2,1-3H3,(H,34,40)(H,38,39)/t26-,27+,28-/m0/s1
InChiKey HEKBLCZSNQVJKZ-IARZGTGTSA-N
Formula C32H36N4O6 Molecular Weight 572.65
Cross Link CHEMBL502302
Structure

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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