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Ligand

NameCHEMBL1290382
Molecular formulaC25H22F3N3O2
IUPAC name1-(5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indol-7-yl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridin-2-one
Molecular weight453.465
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.5
SynonymsBDBM50331210
SCHEMBL11427605
1-(5-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-4-(4-(trifluoromethyl)benzyloxy)pyridin-2(1H)-one
Inchi KeyAGSHQCQUIRKCKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H22F3N3O2/c1-30-22-8-10-29-14-21(22)20-7-6-18(12-23(20)30)31-11-9-19(13-24(31)32)33-15-16-2-4-17(5-3-16)25(26,27)28/h2-7,9,11-13,29H,8,10,14-15H2,1H3
PubChem CID44194853
ChEMBLCHEMBL1290382
IUPHARN/A
BindingDB50331210
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5167Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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