General Information of the Compound
Compound ID
CP0429254
Compound Name
2'-Nitro-biphenyl-4-carboxylic acid hydroxyamide
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Synonyms
2''-Nitro-biphenyl-4-carboxylic acid hydroxyamide
2'-Nitro-biphenyl-4-carboxylic acid hydroxyamide
BDBM50015162
CHEMBL177084
ZINC28086552
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Structure
Formula
C13H10N2O4
Molecular Weight
258.233
Canonical SMILES
ONC(=O)c1ccc(cc1)-c1ccccc1[N+]([O-])=O
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InChI
InChI=1S/C13H10N2O4/c16-13(14-17)10-7-5-9(6-8-10)11-3-1-2-4-12(11)15(18)19/h1-8,17H,(H,14,16)
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InChIKey
MDYLSZYFKUGXHL-UHFFFAOYSA-N
Physicochemical Property
logP
2.3808
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
92.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"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: 44386824
ChEMBL ID
CHEMBL177084
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 8300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2'-Nitro-biphenyl-4-carboxylic acid hydroxyamide )
Drug Name 2'-Nitro-biphenyl-4-carboxylic acid hydroxyamide
Target(s)
Arachidonate 5-lipoxygenase (5-LOX)
Inhibitor