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Ligand

NameCHEMBL59243
Molecular formulaC21H28N6O3
IUPAC name4-aminobutyl N-[(2S)-1-[2-(1H-imidazol-5-yl)ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight412.494
Hydrogen bond acceptor5
Hydrogen bond donor5
XlogP1.3
SynonymsBDBM50289806
[1-[2-(1H-Imidazol-4-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-carbamic acid 4-amino-butyl ester
Inchi KeyFFJQEWTUFSJPIY-IBGZPJMESA-N
Inchi IDInChI=1S/C21H28N6O3/c22-8-3-4-10-30-21(29)27-19(20(28)24-9-7-16-13-23-14-26-16)11-15-12-25-18-6-2-1-5-17(15)18/h1-2,5-6,12-14,19,25H,3-4,7-11,22H2,(H,23,26)(H,24,28)(H,27,29)/t19-/m0/s1
PubChem CID44301675
ChEMBLCHEMBL59243
IUPHARN/A
BindingDB50289806
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
77158Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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