Details of the Drug

General Information of Drug (ID: DMD8GNB)

• Drug Name: BXT-51072
• Synonyms: ALT-2074; SYI-2074

Indication

Disease Entry	ICD 11	Status	REF
Cardiovascular disease	BA00-BE2Z	Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 226.19
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 0
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 1
• ADMET Property:
  Clearance: The clearance of drug is 24.15 +/- 2.38 mL/min/kg []
  Half-life: The concentration or amount of drug in body reduced by one-half in 2.08 +/- 0.17 hours [2]
• Chemical Identifiers:
  Formula: C10H13NSe
  IUPAC Name: 4,4-dimethyl-2,3-dihydro-1,2-benzoselenazine
  Canonical SMILES: CC1(CN[Se]C2=CC=CC=C21)C
  InChI: InChI=1S/C10H13NSe/c1-10(2)7-11-12-9-6-4-3-5-8(9)10/h3-6,11H,7H2,1-2H3
  InChIKey: FXRYWOJYVGJZLE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 130165
  CAS Number: 173026-17-0
  TTD ID: D07NCV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase inducible (NOS2)	TTF10I9	NOS2_HUMAN	Modulator	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Cardiovascular disease
• ICD Disease Classification: BA00-BE2Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase inducible (NOS2)	DTT	NOS2	4.24E-02	-0.27	-0.88

References

• [1] ClinicalTrials.gov (NCT00782613) Efficacy and Safety of Topical ALT-2074 (SYI-2074) for Treatment of Chronic Plaque Psoriasis. U.S. National Institutes of Health.
• [2] Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
• [3] Shear stress induces iNOS expression in cultured smooth muscle cells: role of oxidative stress. Am J Physiol Cell Physiol. 2000 Dec;279(6):C1880-8.