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
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-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
ChEBI ID
CHEMBL24912
TTD ID
D0J1XP
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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 2 (CXCR2) TT30C9G CXCR2_HUMAN Inhibitor [1]
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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 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 Evaluation of potent and selective small-molecule antagonists for the CXCR2 chemokine receptor. J Med Chem. 2004 Mar 11;47(6):1319-21.