Details of the Drug

General Information of Drug (ID: DMN4G7U)

Drug Name
1-(2-hydroxy-4-nitrophenyl)-3-phenylurea
Synonyms
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea; 80883-76-7; CHEMBL280711; NSC157449; AC1MUHEY; 1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea; SKampF 83589; GTPL834; SCHEMBL5595180; CTK9A5291; DTXSID00394355; ZINC3936851; BDBM50140794; AKOS024384917; NSC-157449; MCULE-1458670709; NSC 157449; N-(2-hydroxy-4-nitrophenyl)-N'-phenylurea; ST51035446; [(2-hydroxy-4-nitrophenyl)amino]-N-benzamide; N-(2-hydroxy-4-nitrophenyl)-N'-(phenyl); 1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea; SK&F 83589
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#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-4-nitrophenyl)-3-phenylurea
Canonical SMILES
C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O
InChI
InChI=1S/C13H11N3O4/c17-12-8-10(16(19)20)6-7-11(12)15-13(18)14-9-4-2-1-3-5-9/h1-8,17H,(H2,14,15,18)
InChIKey
SAUHQYBXEGARCC-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3618472
ChEBI ID
CHEMBL280711
CAS Number
80883-76-7
TTD ID
D0U2UJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
C-X-C chemokine receptor type 1 (CXCR1) TTMWT8Z CXCR1_HUMAN Inhibitor [2]
C-X-C chemokine receptor type 2 (CXCR2) TT30C9G CXCR2_HUMAN Inhibitor [3]
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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 1 (CXCR1) DTT CXCR1 1.29E-01 0.12 0.32
C-X-C chemokine receptor type 1 (CXCR1) DTT CXCR1 1.66E-01 0.07 0.2
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 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 834).
2 Evaluation of potent and selective small-molecule antagonists for the CXCR2 chemokine receptor. J Med Chem. 2004 Mar 11;47(6):1319-21.
3 Identification of a potent, selective non-peptide CXCR2 antagonist that inhibits interleukin-8-induced neutrophil migration. J Biol Chem. 1998 Apr 24;273(17):10095-8.