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Ligand

NameCHEMBL434142
Molecular formulaC28H40Cl2F2N4O
IUPAC name(5S)-5-[2-[3-(4-aminopiperidin-1-yl)azetidin-1-yl]ethyl]-5-(3,4-dichlorophenyl)-1-[(4,4-difluorocyclohexyl)methyl]piperidin-2-one
Molecular weight557.552
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50410049
Inchi KeyKWPCKPAAXWLVFU-HHHXNRCGSA-N
Inchi IDInChI=1S/C28H40Cl2F2N4O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(33)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23H,3-14,16-19,33H2/t27-/m1/s1
PubChem CID44392491
ChEMBLCHEMBL434142
IUPHARN/A
BindingDB50410049
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
180040Substance-K receptorP21452TACR2Homo sapiens (Human)398
180041Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384

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