Details of the Drug

General Information of Drug (ID: DMEP9B6)

Drug Name
BW-1003C87
Synonyms
144425-86-5; BW-1003C87; 5-(2,3,5-Trichlorophenyl)pyrimidine-2,4-diamine ethane sulfonate; Ethanesulfonic acid, compd. with 5-(2,3,5-trichlorophenyl)-2,4-pyrimidinediamine (1:1); BW 1003C87; ACMC-20n3z2; AC1L31BW; SCHEMBL15914195; CTK0H6679; DTXSID70162705; AKOS030595718; ethanesulfonic acid
Indication
Disease Entry ICD 11 Status REF
Cerebrovascular ischaemia 8B1Z Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 399.7
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C12H13Cl3N4O3S
IUPAC Name
ethanesulfonic acid;5-(2,3,5-trichlorophenyl)pyrimidine-2,4-diamine
Canonical SMILES
CCS(=O)(=O)O.C1=C(C=C(C(=C1C2=CN=C(N=C2N)N)Cl)Cl)Cl
InChI
InChI=1S/C10H7Cl3N4.C2H6O3S/c11-4-1-5(8(13)7(12)2-4)6-3-16-10(15)17-9(6)14;1-2-6(3,4)5/h1-3H,(H4,14,15,16,17);2H2,1H3,(H,3,4,5)
InChIKey
NVKJAOGJEDODFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
132630
CAS Number
144425-86-5
UNII
599310E3U2
DrugBank ID
DB03635
TTD ID
D00LYW

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]
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 800002740)
2 The pyrimidine-derivative, BW1003C87, protects CA1 and striatal neurons following transient severe forebrain ischaemia in rats. A microdialysis and histological study. Neuroscience. 1993 Sep;56(1):93-9.