Details of the Drug

General Information of Drug (ID: DMUC9OS)

Drug Name

GSK-644784

Synonyms

AC1NQWGT

Indication

Disease Entry	ICD 11	Status	REF
Neuropathic pain	8E43.0	Discontinued in Phase 2	[1]
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Therapeutic Class

Analgesics

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

563.6

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

13

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

13

Chemical Identifiers

Formula: C24H36F3N5O7
IUPAC Name: (2S)-2-[2-[[(2S)-1-hydroxybutan-2-yl]amino]ethylamino]butan-1-ol;(6S)-2-nitro-6-[[4-(trifluoromethoxy)phenyl]methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
Canonical SMILES: CC[C@@H](CO)NCCN[C@@H](CC)CO.C1[C@@H](COC2=NC(=CN21)[N+](=O)[O-])OCC3=CC=C(C=C3)OC(F)(F)F
InChI: InChI=1S/C14H12F3N3O5.C10H24N2O2/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11;1-3-9(7-13)11-5-6-12-10(4-2)8-14/h1-4,6,11H,5,7-8H2;9-14H,3-8H2,1-2H3/t11-;9-,10-/m00/s1
InChIKey: CSKKOIQIXPTXLB-MZEPSHEKSA-N