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Ligand

NameCHEMBL291924
Molecular formulaC24H25N5O3
IUPAC name1H-imidazol-5-ylmethyl N-[3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Molecular weight431.496
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.2
SynonymsBDBM50289822
[2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-carbamic acid 1H-imidazol-4-ylmethyl ester
Inchi KeyCJQBVEGZKWGXGA-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H25N5O3/c30-23(26-11-10-17-6-2-1-3-7-17)22(29-24(31)32-15-19-14-25-16-28-19)12-18-13-27-21-9-5-4-8-20(18)21/h1-9,13-14,16,22,27H,10-12,15H2,(H,25,28)(H,26,30)(H,29,31)
PubChem CID10432902
ChEMBLCHEMBL291924
IUPHARN/A
BindingDB50289822
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
43615Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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