EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:93074 - SB225002

Default Structure
ChEBI IDCHEBI:93074
ChEBI NameSB225002
Stars
DefinitionA member of the class of phenylureas that is urea in which one of the amino groups is substituted by a (2-bromophenyl)amino group while the other is substituted by a (2-hydroxy-4-nitrophenyl)amino group. It is a potent CXCR2 chemokine receptor antagonist (IC50 = 22 nM).
Last Modified23 July 2024
DownloadsMolfile
FormulaC13H10BrN3O4
Net Charge0
Average Mass352.144
Monoisotopic Mass350.98547
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1O)Nc1ccccc1Br
InChIInChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)
InChIKeyMQBZVUNNWUIPMK-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
CXCR2 antagonist  An antagonist that blocks CXCR2.
antinociceptive agent  Any agent that inhibits nociception.
Applications:
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antinociceptive agent  Any agent that inhibits nociception.
ChEBI Ontology
Outgoing Relation(s)
SB225002 (CHEBI:93074) has role anti-inflammatory agent (CHEBI:67079)
SB225002 (CHEBI:93074) has role antineoplastic agent (CHEBI:35610)
SB225002 (CHEBI:93074) has role antinociceptive agent (CHEBI:228138)
SB225002 (CHEBI:93074) has role apoptosis inducer (CHEBI:68495)
SB225002 (CHEBI:93074) has role CXCR2 antagonist (CHEBI:231732)
SB225002 (CHEBI:93074) is a bromobenzenes (CHEBI:37149)
SB225002 (CHEBI:93074) is a nitrophenol (CHEBI:25562)
SB225002 (CHEBI:93074) is a phenylureas (CHEBI:134043)
IUPAC Name 
1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea
Synonyms  Source
N-(2-hydroxy-4-nitrophenyl)-N'-(2-bromophenyl)ureaChEBI
PD 157695ChEBI
PD-157695ChEBI
PD157695ChEBI
SB 225002ChEBI
SB-225002ChEBI
Manual XrefsDatabases
LSM-3367LINCS
Registry NumbersSources
Reaxys:10689013Reaxys
CAS:182498-32-4ChEBI
Citations