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Ligand

NameCHEMBL225308
Molecular formulaC26H33N5O4
IUPAC name8-[2-(dimethylamino)ethyl-methylamino]-6-methoxy-N-(4-morpholin-4-ylphenyl)-4-oxo-1H-quinoline-2-carboxamide
Molecular weight479.581
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.5
Synonyms8-[(2-dimethylamino-ethyl)-methyl-amino]-6-methoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid(4-morpholin-4-yl-phenyl)amide
BDBM50199563
SCHEMBL14263968
Inchi KeyAFCMDDRJDJOMFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33N5O4/c1-29(2)9-10-30(3)23-16-20(34-4)15-21-24(32)17-22(28-25(21)23)26(33)27-18-5-7-19(8-6-18)31-11-13-35-14-12-31/h5-8,15-17H,9-14H2,1-4H3,(H,27,33)(H,28,32)
PubChem CID23533328
ChEMBLCHEMBL225308
IUPHARN/A
BindingDB50199563
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
40375-hydroxytryptamine receptor 1BP28222HTR1BHomo sapiens (Human)390

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