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Ligand

NameCHEMBL57951
Molecular formulaC16H19N3O6
IUPAC name2-[[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyloxy]acetic acid
Molecular weight349.343
Hydrogen bond acceptor6
Hydrogen bond donor5
XlogP0.1
SynonymsBDBM50289802
[(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethylcarbamoyloxy]-acetic acid
Inchi KeyGXJKVZSLLCJJQR-ZDUSSCGKSA-N
Inchi IDInChI=1S/C16H19N3O6/c20-6-5-17-15(23)13(19-16(24)25-9-14(21)22)7-10-8-18-12-4-2-1-3-11(10)12/h1-4,8,13,18,20H,5-7,9H2,(H,17,23)(H,19,24)(H,21,22)/t13-/m0/s1
PubChem CID44301926
ChEMBLCHEMBL57951
IUPHARN/A
BindingDB50289802
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
107687Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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