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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.