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Ligand

NameCHEMBL3896467
Molecular formulaC31H32ClF3N6OS
IUPAC name4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[[5-[5-(trifluoromethyl)pyridin-2-yl]-1,3,4-thiadiazol-2-yl]amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
Molecular weight629.143
Hydrogen bond acceptor11
Hydrogen bond donor2
XlogP7.8
SynonymsUS9120798, 8
BDBM177971
SCHEMBL15605985
Inchi KeyAAUMEBRGOQIAOL-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H32ClF3N6OS/c1-29(2,3)17-40-14-12-30(13-15-40)18-41(26-24(42)11-9-20(32)25(26)30)23-7-5-4-6-21(23)37-28-39-38-27(43-28)22-10-8-19(16-36-22)31(33,34)35/h4-11,16,42H,12-15,17-18H2,1-3H3,(H,37,39)
PubChem CID73053268
ChEMBLCHEMBL3896467
IUPHARN/A
BindingDB177971
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This 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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
459238P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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