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Ligand

NameSCHEMBL1572821
Molecular formulaC35H45N5
IUPAC name6-tert-butyl-N-[2-[1'-(2,2-dimethylpropyl)spiro[2,3-dihydroquinoline-4,4'-piperidine]-1-yl]phenyl]-1H-benzimidazol-2-amine
Molecular weight535.78
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP9.2
SynonymsUS9120798, Comparator 1
CHEMBL3942314
BDBM177956
Inchi KeyAONJWECSJOZDAI-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H45N5/c1-33(2,3)24-39-20-17-35(18-21-39)19-22-40(30-13-9-7-11-26(30)35)31-14-10-8-12-28(31)37-32-36-27-16-15-25(34(4,5)6)23-29(27)38-32/h7-16,23H,17-22,24H2,1-6H3,(H2,36,37,38)
PubChem CID59337700
ChEMBLCHEMBL3942314
IUPHARN/A
BindingDB177956
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
459313P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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