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Ligand

NameCHEMBL169174
Molecular formulaC36H41N5O5
IUPAC namebenzyl N-[(2S)-1-[[(2S)-1-[(3S)-3-benzyl-5-oxopiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight623.754
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP5.3
SynonymsBDBM50284156
[(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid benzyl ester
Inchi KeyBAERKTIXPZLGLW-MHDHXZMLSA-N
Inchi IDInChI=1S/C36H41N5O5/c1-24(2)17-32(35(44)41-21-28(38-33(42)22-41)18-25-11-5-3-6-12-25)39-34(43)31(19-27-20-37-30-16-10-9-15-29(27)30)40-36(45)46-23-26-13-7-4-8-14-26/h3-16,20,24,28,31-32,37H,17-19,21-23H2,1-2H3,(H,38,42)(H,39,43)(H,40,45)/t28-,31-,32-/m0/s1
PubChem CID44382219
ChEMBLCHEMBL169174
IUPHARN/A
BindingDB50284156
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
18783Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
18784Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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