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Ligand

NameCHEMBL3665327
Molecular formulaC24H21F3N4O
IUPAC name1-(10-methyl-2,3,4,5-tetrahydro-1H-azepino[3,4-b]indol-8-yl)-4-[5-(trifluoromethyl)pyridin-2-yl]pyridin-2-one
Molecular weight438.454
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP2.8
SynonymsSCHEMBL12949617
BDBM113616
US8637501, 20
Inchi KeyAPSUNACFKQHVBK-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H21F3N4O/c1-30-21-12-17(5-6-19(21)18-3-2-9-28-14-22(18)30)31-10-8-15(11-23(31)32)20-7-4-16(13-29-20)24(25,26)27/h4-8,10-13,28H,2-3,9,14H2,1H3
PubChem CID49869074
ChEMBLCHEMBL3665327
IUPHARN/A
BindingDB113616
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
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GLASS IDNameUniProtGeneSpeciesLength
11311Melanin-concentrating hormone receptor 1Q99705MCHR1Homo sapiens (Human)422

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