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Ligand

NameCHEMBL367815
Molecular formulaC28H37Cl2F2N3O2
IUPAC name(5S)-5-(3,4-dichlorophenyl)-1-[(4,4-difluorocyclohexyl)methyl]-5-[2-[3-(4-oxopiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
Molecular weight556.52
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.7
SynonymsBDBM50410052
Inchi KeyHFWUHIICTJEDKT-HHHXNRCGSA-N
Inchi IDInChI=1S/C28H37Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22H,3-14,16-19H2/t27-/m1/s1
PubChem CID44392392
ChEMBLCHEMBL367815
IUPHARN/A
BindingDB50410052
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
113824Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384
113825Substance-K receptorP21452TACR2Homo sapiens (Human)398

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