Details of the Drug

General Information of Drug (ID: DMFKXMT)

Drug Name

BW-202W92

Synonyms

BW-202W92; SCHEMBL136398; CHEMBL448556; QEDNOUAODRFJQN-UHFFFAOYSA-N; BW202W92; 2.4-Diamino-5-(2,3,5-trichlorophenyl)-6-fluoromethylpyrimidine; 2,4-diamino-5-(2,3,5-trichlorophenyl)-6-fluoromethylpyrimidine

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

321.6

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C11H8Cl3FN4
IUPAC Name: 6-(fluoromethyl)-5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
Canonical SMILES: C1=C(C=C(C(=C1C2=C(N=C(N=C2N)N)CF)Cl)Cl)Cl
InChI: InChI=1S/C11H8Cl3FN4/c12-4-1-5(9(14)6(13)2-4)8-7(3-15)18-11(17)19-10(8)16/h1-2H,3H2,(H4,16,17,18,19)
InChIKey: QEDNOUAODRFJQN-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 9883607
TTD ID: D0B9UU

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Sodium channel unspecific (NaC)	TTRK8B9	NOUNIPROTAC	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.3 (SCN3A)	TTAXZ0K	SCN3A_HUMAN	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.4 (SCN4A)	TT84DRB	SCN4A_HUMAN	Inhibitor	[1]
Voltage-gated sodium channel alpha Nav1.8 (SCN10A)	TT90XZ8	SCNAA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Oxadiazolylindazole sodium channel modulators are neuroprotective toward hippocampal neurones. J Med Chem. 2009 May 14;52(9):2694-707.