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Ligand

NameCHEMBL59222
Molecular formulaC18H25N3O3
IUPAC namemethyl N-[(2S)-3-(1H-indol-3-yl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamate
Molecular weight331.416
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.9
SynonymsBDBM50289842
[(S)-2-(1H-Indol-3-yl)-1-(3-methyl-butylcarbamoyl)-ethyl]-carbamic acid methyl ester
Inchi KeyKFPUGYBXXFAIQK-INIZCTEOSA-N
Inchi IDInChI=1S/C18H25N3O3/c1-12(2)8-9-19-17(22)16(21-18(23)24-3)10-13-11-20-15-7-5-4-6-14(13)15/h4-7,11-12,16,20H,8-10H2,1-3H3,(H,19,22)(H,21,23)/t16-/m0/s1
PubChem CID44301774
ChEMBLCHEMBL59222
IUPHARN/A
BindingDB50289842
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
167984Neuromedin-B receptorP28336NMBRHomo sapiens (Human)390

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