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Ligand

NameCHEMBL244362
Molecular formulaC36H45BrN4O4S
IUPAC name6-bromo-N-[1-[[(2R)-1-[[1-(oxan-4-ylmethyl)piperidin-4-yl]methylamino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight709.744
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.4
SynonymsN/A
Inchi KeyGXMJPZKEIQCJRX-SSEXGKCCSA-N
Inchi IDInChI=1S/C36H45BrN4O4S/c37-29-9-8-28-21-32(46-31(28)22-29)34(43)40-36(14-4-5-15-36)35(44)39-30(20-25-6-2-1-3-7-25)33(42)38-23-26-10-16-41(17-11-26)24-27-12-18-45-19-13-27/h1-3,6-9,21-22,26-27,30H,4-5,10-20,23-24H2,(H,38,42)(H,39,44)(H,40,43)/t30-/m1/s1
PubChem CID11593070
ChEMBLCHEMBL244362
IUPHARN/A
BindingDBN/A
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
107744Substance-K receptorP21452TACR2Homo sapiens (Human)398
107745Substance-K receptorQ64077TACR2Cavia porcellus (Guinea pig)402

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