Details of the Drug

General Information of Drug (ID: DM8TKG5)

Drug Name
SB-265610
Synonyms
SB 265610; 211096-49-0; CHEMBL38182; UNII-9P785F0579; N-(2-BROMOPHENYL)-N'-(7-CYANO-1H-BENZOTRIAZOL-4-YL)UREA; 9P785F0579; 1-(2-Bromophenyl)-3-(4-cyano-1H-benzo[d][1,2,3]triazol-7-yl)urea; sb265610; SCHEMBL1535925; CTK8E9340; DTXSID10175339; MolPort-019-939-274; MolPort-044-561-465; ZINC603064; BCP28242; BDBM50102222; AKOS024457259; NCGC00242491-01; NCGC00242491-02; KB-80496; RT-015648; SB265610, > J-013849; 1-(2-Bromo-phenyl)-3-(7-cyano-3H-benzotriazol-4-yl)-urea; Urea, N-(2-bromophenyl)-N'-(4-cyano-1H-be
Indication
Disease Entry ICD 11 Status REF
Asthma CA23 Phase 2 [1]
Chronic obstructive pulmonary disease CA22 Discontinued in Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 357.16
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C14H9BrN6O
IUPAC Name
1-(2-bromophenyl)-3-(7-cyano-2H-benzotriazol-4-yl)urea
Canonical SMILES
C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C3=NNN=C23)C#N)Br
InChI
InChI=1S/C14H9BrN6O/c15-9-3-1-2-4-10(9)17-14(22)18-11-6-5-8(7-16)12-13(11)20-21-19-12/h1-6H,(H2,17,18,22)(H,19,20,21)
InChIKey
SEDUMQWZEOMXSO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9841667
CAS Number
211096-49-0
TTD ID
D02JXG
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
C-X-C chemokine receptor type 2 (CXCR2) TT30C9G CXCR2_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 12 Disease of the respiratory system
Disease Class ICD-11: CA23 Asthma
The Studied Tissue Lung tissue
The Studied Disease Chronic obstructive pulmonary disease [ICD-11:CA23]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
C-X-C chemokine receptor type 2 (CXCR2) DTT CXCR2 8.82E-01 -0.23 -0.21
C-X-C chemokine receptor type 2 (CXCR2) DTT CXCR2 1.34E-01 0.21 0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 SB-656933, a novel CXCR2 selective antagonist, inhibits ex vivo neutrophil activation and ozone-induced airway inflammation in humans. Br J Clin Pharmacol. 2011 Aug;72(2):282-93.
2 Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.