Details of the Drug

General Information of Drug (ID: DM6SCUK)

• Drug Name: CI-959
• Synonyms: CI-959; UNII-1A8130P4IY; CI 959; CI 159; 104795-68-8; 1A8130P4IY; Benzo(b)thiophene-2-carboxamide, 5-methoxy-3-(1-methylethoxy)-N-1H-tetrazol-5-yl-, monosodium salt; DSSTox_RID_82225; DSSTox_CID_27268; DSSTox_GSID_47268; DTXSID8047268; CHEMBL3183386; Tox21_300435; NCGC00254320-01; LS-41129

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 355.35
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 5
  Hydrogen Bond Donor Count; 1
  Hydrogen Bond Acceptor Count; 8
• Chemical Identifiers:
  Formula: C14H14N5NaO3S
  IUPAC Name: sodium;5-methoxy-3-propan-2-yloxy-N-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-1-benzothiophene-2-carboxamide
  Canonical SMILES: CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=NN=N[N-]3.[Na+]
  InChI: InChI=1S/C14H15N5O3S.Na/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14;/h4-7H,1-3H3,(H2,15,16,17,18,19,20);/q;+1/p-1
  InChIKey: UCLODRCAPZIYOW-UHFFFAOYSA-M
• Cross-matching ID:
  PubChem CID: 13961743
  CAS Number: 104795-68-8
  TTD ID: D07TAS
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histamine release (His rele)	TT4IN7L	NOUNIPROTAC	Modulator	[2]

References

• [1] The effectiveness of walking stick use for neurogenic claudication: results from a randomized trial and the effects on walking tolerance and posture. Arch Phys Med Rehabil. 2010 Jan;91(1):15-9.
• [2] Cytoprotective effects of CI-959 in the rat gastric mucosa: modulation of leukocyte adhesion. Gastroenterology. 1995 Oct;109(4):1224-33.