Details of the Drug

General Information of Drug (ID: DMKXPOL)

Drug Name

GSK189254A

Synonyms

720690-73-3; GSK 189254A; GSK-189254; GSK189254A; UNII-5T4TX6CO53; GSK189254; CHEMBL517140; 5T4TX6CO53; 6-[(3-cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide; 6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-3-pyridinecarboxamide; WROHEWWOCPRMIA-UHFFFAOYSA-N; 854485-15-7; GSK-189254A; SCHEMBL169579; ZINC3961799; AOB87474; EX-A1905; ABP000814; BDBM50247054; AKOS032944981; CS-6206; BCP9000737; GSK-189,254; KB-77605; HY-14111

Indication

Disease Entry	ICD 11	Status	REF
Cognitive impairment	6D71	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

351.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C21H25N3O2
IUPAC Name: 6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
Canonical SMILES: CNC(=O)C1=CN=C(C=C1)OC2=CC3=C(CCN(CC3)C4CCC4)C=C2
InChI: InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)
InChIKey: WROHEWWOCPRMIA-UHFFFAOYSA-N