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Ligand

NameCHEMBL1083869
Molecular formulaC38H45FN4O2S
IUPAC nameN-[1-[[(2S)-5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide
Molecular weight640.862
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP7.5
SynonymsBDBM50415943
Inchi KeyGMLUTFLFJNJTRU-XIFFEERXSA-N
Inchi IDInChI=1S/C38H45FN4O2S/c1-28-11-14-31-26-35(46-34(31)24-28)36(44)41-38(17-5-6-18-38)37(45)40-33(25-29-8-3-2-4-9-29)10-7-19-42-20-22-43(23-21-42)27-30-12-15-32(39)16-13-30/h2-4,8-9,11-16,24,26,33H,5-7,10,17-23,25,27H2,1H3,(H,40,45)(H,41,44)/t33-/m0/s1
PubChem CID46237170
ChEMBLCHEMBL1083869
IUPHARN/A
BindingDB50415943
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
100008Substance-K receptorP21452TACR2Homo sapiens (Human)398
100009Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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