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Ligand

NameCHEMBL3984131
Molecular formulaC24H23N5OS
IUPAC name[(8S)-3-(2-ethyl-1,3-thiazol-4-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-phenylphenyl)methanone
Molecular weight429.542
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.7
SynonymsN/A
Inchi KeyBKHKRYBQDLJGGK-INIZCTEOSA-N
Inchi IDInChI=1S/C24H23N5OS/c1-3-21-25-20(15-31-21)23-27-26-22-16(2)28(13-14-29(22)23)24(30)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,15-16H,3,13-14H2,1-2H3/t16-/m0/s1
PubChem CID134156984
ChEMBLCHEMBL3984131
IUPHARN/A
BindingDBN/A
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
548173Neuromedin-K receptorP29371TACR3Homo sapiens (Human)465

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