Details of the Drug

General Information of Drug (ID: DMYOG98)

Drug Name

534U87

Synonyms

Anticonvulsant, Glaxo Wellcome; BW-534U87

Indication

Disease Entry	ICD 11	Status	REF
Epileptic seizures	8A61-8A6Z	Discontinued in Phase 2	[1]
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Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

297.69

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

2

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C12H10ClF2N5
IUPAC Name: 1-[(2,6-difluorophenyl)methyl]triazolo[4,5-c]pyridin-4-amine;hydrochloride
Canonical SMILES: C1=CC(=C(C(=C1)F)CN2C3=C(C(=NC=C3)N)N=N2)F.Cl
InChI: InChI=1S/C12H9F2N5.ClH/c13-8-2-1-3-9(14)7(8)6-19-10-4-5-16-12(15)11(10)17-18-19;/h1-5H,6H2,(H2,15,16);1H
InChIKey: JKXUBXRPDZPXOD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Modulator	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800006296)
2	The anticonvulsant BW534U87 depresses epileptiform activity in rat hippocampal slices by an adenosine-dependent mechanism and through inhibition of voltage-gated Na+ channels. Br J Pharmacol. 1999 Nov;128(5):1011-20.