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Ligand

NameCHEMBL3894893
Molecular formulaC37H35ClF4N6O2S
IUPAC name1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxy-4-[6-(trifluoromethyl)pyridin-3-yl]spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea
Molecular weight739.231
Hydrogen bond acceptor11
Hydrogen bond donor3
XlogP8.9
SynonymsUS9428504, 162
BDBM245407
SCHEMBL16782866
Inchi KeyBPQAXVMJNZGVIL-UHFFFAOYSA-N
Inchi IDInChI=1S/C37H35ClF4N6O2S/c1-35(2,3)19-47-14-12-36(13-15-47)20-48(32-27(49)17-23(39)30(31(32)36)21-8-11-29(43-18-21)37(40,41)42)26-7-5-4-6-24(26)44-33(50)46-34-45-25-10-9-22(38)16-28(25)51-34/h4-11,16-18,49H,12-15,19-20H2,1-3H3,(H2,44,45,46,50)
PubChem CID118130680
ChEMBLCHEMBL3894893
IUPHARN/A
BindingDB245407
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
534020P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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