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Ligand

NameCHEMBL169178
Molecular formulaC31H39N5O5
IUPAC nameethyl 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 weight561.683
Hydrogen bond acceptor5
Hydrogen bond donor4
XlogP4.2
SynonymsBDBM50284160
[(S)-1-[(S)-1-((S)-3-Benzyl-5-oxo-piperazine-1-carbonyl)-3-methyl-butylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid ethyl ester
Inchi KeyOZUOLBQFMDPMGS-YGPDHOBYSA-N
Inchi IDInChI=1S/C31H39N5O5/c1-4-41-31(40)35-26(16-22-17-32-25-13-9-8-12-24(22)25)29(38)34-27(14-20(2)3)30(39)36-18-23(33-28(37)19-36)15-21-10-6-5-7-11-21/h5-13,17,20,23,26-27,32H,4,14-16,18-19H2,1-3H3,(H,33,37)(H,34,38)(H,35,40)/t23-,26-,27-/m0/s1
PubChem CID44382218
ChEMBLCHEMBL169178
IUPHARN/A
BindingDB50284160
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
254291Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
254290Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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