Details of the Drug

General Information of Drug (ID: DMPT74G)

• Drug Name: NS-638
• Synonyms: 150493-34-8; NS-638; NS638; 2-Amino-1-(4-chlorobenzyl)-5-trifluoromethylbenzimidazole; 1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine; 1H-Benzimidazol-2-amine,1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)-; NS 638; GXQCVUZORDAARJ-UHFFFAOYSA-N; ACMC-20n5zm; AC1L2SIQ; SCHEMBL3083259; ZINC5752; CTK4C6667; DTXSID10164561; MolPort-046-033-572; BCP20747; AKOS032947353; 1-((4-Chlorophenyl)methyl)-5-(trifluoromethyl)-1H-benzimidazol-2-amine; CS-6337; KB-227320; HY-101428

Indication

Disease Entry	ICD 11	Status	REF
Cerebrovascular ischaemia	8B1Z	Terminated	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 325.71
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C15H11ClF3N3
  IUPAC Name: 1-[(4-chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
  Canonical SMILES: C1=CC(=CC=C1CN2C3=C(C=C(C=C3)C(F)(F)F)N=C2N)Cl
  InChI: InChI=1S/C15H11ClF3N3/c16-11-4-1-9(2-5-11)8-22-13-6-3-10(15(17,18)19)7-12(13)21-14(22)20/h1-7H,8H2,(H2,20,21)
  InChIKey: GXQCVUZORDAARJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 127722
  CAS Number: 150493-34-8
  TTD ID: D00ZWG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Calcium channel unspecific (CaC)	TT5HONZ	NOUNIPROTAC	Modulator	[2]

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 800005354)
• [2] Pharmacological profile and anti-ischemic properties of the Ca(2+)-channel blocker NS-638. Neurol Res. 1995 Oct;17(5):353-60.