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Ligand

NameCHEMBL1083879
Molecular formulaC37H48N4O4S
IUPAC name6-methyl-N-[1-[[(2S)-5-[4-(oxane-4-carbonyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight644.875
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP5.7
SynonymsBDBM50415928
Inchi KeyHDQFNHSOFOYPKZ-HKBQPEDESA-N
Inchi IDInChI=1S/C37H48N4O4S/c1-27-11-12-30-26-33(46-32(30)24-27)34(42)39-37(15-5-6-16-37)36(44)38-31(25-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)35(43)29-13-22-45-23-14-29/h2-4,8-9,11-12,24,26,29,31H,5-7,10,13-23,25H2,1H3,(H,38,44)(H,39,42)/t31-/m0/s1
PubChem CID11445137
ChEMBLCHEMBL1083879
IUPHARN/A
BindingDB50415928
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
112230Substance-K receptorP21452TACR2Homo sapiens (Human)398
112231Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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