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Ligand

NameCHEMBL18727
Molecular formulaC27H30N4O2
IUPAC name7-methyl-N-[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl]-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular weight442.563
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP3.7
SynonymsBDBM50280052
7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((S)-1-phenethylcarbamoyl-ethyl)-amide
Inchi KeyPOTPSEYTYFJVAU-QWMSRCPPSA-N
Inchi IDInChI=1S/C27H30N4O2/c1-17(26(32)28-12-11-18-7-4-3-5-8-18)30-27(33)20-13-22-21-9-6-10-23-25(21)19(15-29-23)14-24(22)31(2)16-20/h3-10,13,15,17,20,24,29H,11-12,14,16H2,1-2H3,(H,28,32)(H,30,33)/t17-,20?,24?/m0/s1
PubChem CID44272230
ChEMBLCHEMBL18727
IUPHARN/A
BindingDB50280052
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
265064Cholecystokinin receptor type AO08786CckarMus musculus (Mouse)436
265065Gastrin/cholecystokinin type B receptorP56481CckbrMus musculus (Mouse)453

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