Details of the Drug

General Information of Drug (ID: DMPLHEY)

• Drug Name: 1-(2-Hydroxy-5-nitro-phenyl)-3-phenyl-urea
• Synonyms: CHEMBL24912; 1-(2-hydroxy-5-nitro-phenyl)-3-phenyl-urea; SCHEMBL5595042; MHNNUSRLYWTBJF-UHFFFAOYSA-N; ZINC13559606; BDBM50140790; AKOS016618380; N-[5-nitro-2-hydroxyphenyl]-N'-phenylurea; N-[5-nitro-2-hydroxyphenyl]-N'-phenyl urea

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 273.24
  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: C13H11N3O4
  IUPAC Name: 1-(2-hydroxy-5-nitrophenyl)-3-phenylurea
  Canonical SMILES: C1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])O
  InChI: InChI=1S/C13H11N3O4/c17-12-7-6-10(16(19)20)8-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
  InChIKey: MHNNUSRLYWTBJF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11818139
  TTD ID: D0J1XP

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	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

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] Evaluation of potent and selective small-molecule antagonists for the CXCR2 chemokine receptor. J Med Chem. 2004 Mar 11;47(6):1319-21.