Details of the Drug

General Information of Drug (ID: DM57HZW)

• Drug Name: SB-332235
• Synonyms: 1-(4-Chloro-2-hydroxy-3-sulfamoyl-phenyl)-3-(2,3-dichlorophenyl)urea; 276702-15-9; SB 332235; UNII-5HLP8UVL8M; 5HLP8UVL8M; CHEMBL3819292; WTLRWOHEKQGKDS-UHFFFAOYSA-N; SCHEMBL1535901; sb332235; MolPort-042-624-550; ZINC3990011; BDBM50182254; 1-(4-chloro-2-hydroxy-3-sulfamoyl-phenyl)-3-(2,3-dichlorophenyl)urea; AKOS027470251; N-(4-Chloro-2hydroxy-3-aminosulfonylphenyl)-N'-(2,3-dichlorophenyl) urea; n-(4-chloro-2-hydroxy-3-aminosulfonylphenyl)-n'-(2,3-dichlorophenyl)urea; N-(4-Chloro-2-hydroxy-3-aminosulfonylphenyl)-N'-(2,3-dichlorophenyl) Urea; N-(3-(aminosulfonyl)-4-chloro-2-hydroxyphenyl)-N'-(2,3-dichlorophenyl) urea

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 410.7
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 4
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C13H10Cl3N3O4S
  IUPAC Name: 1-(4-chloro-2-hydroxy-3-sulfamoylphenyl)-3-(2,3-dichlorophenyl)urea
  Canonical SMILES: C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)N)O
  InChI: InChI=1S/C13H10Cl3N3O4S/c14-6-2-1-3-8(10(6)16)18-13(21)19-9-5-4-7(15)12(11(9)20)24(17,22)23/h1-5,20H,(H2,17,22,23)(H2,18,19,21)
  InChIKey: WTLRWOHEKQGKDS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9887803
  CAS Number: 276702-15-9
  TTD ID: D03PDY

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] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014165)
• [2] Emerging drugs for the treatment of chronic obstructive pulmonary disease. Expert Opin Emerg Drugs. 2006 May;11(2):275-91.