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Ligand

NameCHEMBL185133
Molecular formulaC26H36Cl2FN3O
IUPAC name(5S)-1-(2-cyclopropylethyl)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-fluoropiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
Molecular weight496.492
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP5.4
SynonymsBDBM50410054
Inchi KeyGYMSXLBOYPSJRT-AREMUKBSSA-N
Inchi IDInChI=1S/C26H36Cl2FN3O/c27-23-4-3-20(15-24(23)28)26(9-5-25(33)32(18-26)11-6-19-1-2-19)10-14-30-16-22(17-30)31-12-7-21(29)8-13-31/h3-4,15,19,21-22H,1-2,5-14,16-18H2/t26-/m1/s1
PubChem CID44392445
ChEMBLCHEMBL185133
IUPHARN/A
BindingDB50410054
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
108438Substance-K receptorP21452TACR2Homo sapiens (Human)398
108439Substance-K receptorP79218TACR2Oryctolagus cuniculus (Rabbit)384

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