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Ligand

NameCHEMBL294570
Molecular formulaC18H25N3O4
IUPAC name2-methylpropyl N-[(2S)-1-(2-hydroxyethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight347.415
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP1.9
SynonymsBDBM50289844
[(S)-1-(2-Hydroxy-ethylcarbamoyl)-2-(1H-indol-3-yl)-ethyl]-carbamic acid isobutyl ester
Inchi KeyGIUQDKGIEHCREO-INIZCTEOSA-N
Inchi IDInChI=1S/C18H25N3O4/c1-12(2)11-25-18(24)21-16(17(23)19-7-8-22)9-13-10-20-15-6-4-3-5-14(13)15/h3-6,10,12,16,20,22H,7-9,11H2,1-2H3,(H,19,23)(H,21,24)/t16-/m0/s1
PubChem CID44301887
ChEMBLCHEMBL294570
IUPHARN/A
BindingDB50289844
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
97583Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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