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Ligand

NameCHEMBL301636
Molecular formulaC26H31N5O3
IUPAC name4-aminobutyl N-[(2S)-3-(1H-indol-3-yl)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]carbamate
Molecular weight461.566
Hydrogen bond acceptor4
Hydrogen bond donor5
XlogP2.8
SynonymsBDBM50289810
{(S)-2-(1H-Indol-3-yl)-1-[2-(1H-indol-3-yl)-ethylcarbamoyl]-ethyl}-carbamic acid 4-amino-butyl ester
Inchi KeyFBJCBOPNWSSQBZ-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H31N5O3/c27-12-5-6-14-34-26(33)31-24(15-19-17-30-23-10-4-2-8-21(19)23)25(32)28-13-11-18-16-29-22-9-3-1-7-20(18)22/h1-4,7-10,16-17,24,29-30H,5-6,11-15,27H2,(H,28,32)(H,31,33)/t24-/m0/s1
PubChem CID44301811
ChEMBLCHEMBL301636
IUPHARN/A
BindingDB50289810
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
74234Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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