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Ligand

NameCHEMBL453637
Molecular formulaC25H25N3O3
IUPAC name[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
Molecular weight415.493
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP5.8
SynonymsAC1OJ2DB
ZINC4663425
BDBM50246468
((2R,3S,4S)-2-ethyl-3-methyl-4-(phenylamino)-3,4-dihydroquinolin-1(2H)-yl)(4-nitrophenyl)methanone
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
Inchi KeyAHJVMUCXWPUDTK-BSDZUQITSA-N
Inchi IDInChI=1S/C25H25N3O3/c1-3-22-17(2)24(26-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27(22)25(29)18-13-15-20(16-14-18)28(30)31/h4-17,22,24,26H,3H2,1-2H3/t17-,22-,24+/m1/s1
PubChem CID7313032
ChEMBLCHEMBL453637
IUPHARN/A
BindingDB50246468
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5634P2Y purinoceptor 1P47900P2RY1Homo sapiens (Human)373

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