General Information of the Compound
Compound ID
CP0495785
Compound Name
1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea
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Synonyms
1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea
1-(2-Hydroxy-4-nitro-phenyl)-3-phenyl-urea
1-(2-Hydroxy-4-nitrophenyl)-3-phenylurea
1-(2-hydroxy-4-nitrophenyl)-3-phenylurea
80883-76-7
AC1MUHEY
AKOS024384917
BDBM50140794
CHEMBL280711
CTK9A5291
DTXSID00394355
GTPL834
MCULE-1458670709
N-(2-hydroxy-4-nitrophenyl)-N'-(phenyl)
N-(2-hydroxy-4-nitrophenyl)-N'-phenylurea
NSC 157449
NSC-157449
NSC157449
SCHEMBL5595180
SK&F 83589
SKampF 83589
ST51035446
ZINC3936851
[(2-hydroxy-4-nitrophenyl)amino]-N-benzamide
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Structure
Formula
C13H11N3O4
Molecular Weight
273.248
Canonical SMILES
Oc1cc(ccc1NC(=O)Nc1ccccc1)[N+]([O-])=O
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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)
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InChIKey
SAUHQYBXEGARCC-UHFFFAOYSA-N
CAS
80883-76-7
Physicochemical Property
logP
2.9444
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
104.5
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
20

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3618472
SID: 16486267
ChEMBL ID
CHEMBL280711
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01013, C-X-C chemokine receptor type 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 320 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 1-(2-hydroxy-4-nitrophenyl)-3-phenylurea )
Drug Name 1-(2-hydroxy-4-nitrophenyl)-3-phenylurea
Target(s)
C-X-C chemokine receptor type 1 (CXCR1)
 Target Info 
Inhibitor
C-X-C chemokine receptor type 2 (CXCR2)
 Target Info 
Inhibitor