Details of the Drug

General Information of Drug (ID: DMKRSZY)

Drug Name

LGD-2226

Synonyms

LGD-2226; UNII-RI376RM5MT; LGD2226; RI376RM5MT; CHEMBL436784; 328947-93-9; 6-[bis(2,2,2-Trifluoroethyl)amino]-4-(Trifluoromethyl)quinolin-2(1h)-One; 2hvc; SCHEMBL1771552; BDBM18524; DTXSID10186546; ZINC14968232; 6-(Bis-(2,2,2-trifluoroethyl)amino)-4-trifluoromethyl-1H-quinolin-2-one; DB08089; 4-(Trifluoromethyl)-6-[bis(2,2,2-trifluoroethyl)amino]quinoline-2(1H)-one; 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one; 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

392.22

Logarithm of the Partition Coefficient (xlogp)

4.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

11

Chemical Identifiers

Formula: C14H9F9N2O
IUPAC Name: 6-[bis(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1H-quinolin-2-one
Canonical SMILES: C1=CC2=C(C=C1N(CC(F)(F)F)CC(F)(F)F)C(=CC(=O)N2)C(F)(F)F
InChI: InChI=1S/C14H9F9N2O/c15-12(16,17)5-25(6-13(18,19)20)7-1-2-10-8(3-7)9(14(21,22)23)4-11(26)24-10/h1-4H,5-6H2,(H,24,26)
InChIKey: ULBPQWIGZUGPHU-UHFFFAOYSA-N