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
• #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
  ChEBI ID: CHEMBL38182
  CAS Number: 211096-49-0
  TTD ID: D02JXG
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• 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 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

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.