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Ligand

NameCHEMBL58167
Molecular formulaC24H30N4O3
IUPAC name4-aminobutyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(2-phenylethylamino)propan-2-yl]carbamate
Molecular weight422.529
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM50289836
[(S)-2-(1H-Indol-3-yl)-1-phenethylcarbamoyl-ethyl]-carbamic acid 4-amino-butyl ester
Inchi KeyABASYXAEVFETDU-QFIPXVFZSA-N
Inchi IDInChI=1S/C24H30N4O3/c25-13-6-7-15-31-24(30)28-22(16-19-17-27-21-11-5-4-10-20(19)21)23(29)26-14-12-18-8-2-1-3-9-18/h1-5,8-11,17,22,27H,6-7,12-16,25H2,(H,26,29)(H,28,30)/t22-/m0/s1
PubChem CID44301882
ChEMBLCHEMBL58167
IUPHARN/A
BindingDB50289836
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
714Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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