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Compound Detail

CHEMBL23832

FENAMIC ACID
Phase I
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Phase I
O=C(O)c1ccccc1Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL23832
Name FENAMIC ACID
Phase Phase I
Structure Type MOL
InChI Key ZWJINEZUASEZBH-UHFFFAOYSA-N

Known Names

2-(phenylamino)benzoic acid 2-phenylamino-benzoic acid Diphenylamine-2-carboxylic acid Fenamic acid N-phenylanthranilic acid NSC-215211
10
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
1
Indications

Molecular Properties

213.2
MW (Da)
3.13
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C13H11NO2
MW 213.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.77

Indications

Pancreatic Neoplasms

Activity Summary

IC50 10 meas. best 6.36
Ki 7 meas. best 7.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 2
CHEMBL205
 Ki 7.42 7.42 38.0 1
Carbonic anhydrase 12
CHEMBL3242
 Ki 7.3 7.3 50.0 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 7.3 7.3 50.0 1
Carbonic anhydrase 2
CHEMBL1697676
 Ki 7.06 7.06 87.0 1
Aldo-keto reductase family 1 member C2
CHEMBL5847
 IC50 6.36 6.36 440.0 3
Unchecked
CHEMBL612545
 Ki 5.97 5.97 1070.0 1
Carbonic anhydrase 1
CHEMBL261
 Ki 5.92 5.92 1200.0 1
Aldo-keto reductase family 1 member C3
CHEMBL4681
 IC50 5.82 5.82 1500.0 3
Fatty acid-binding protein, adipocyte
CHEMBL2083
 IC50 4.29 4.29 51000.0 1
Fatty acid-binding protein, adipocyte
CHEMBL2083
 Ki 4.29 4.29 50690.3 1
NAD-dependent protein deacetylase sirtuin-1
CHEMBL4506
 IC50 4.17 4.17 68000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 2 Ki = 38.0 nM 7.42 Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to subs... 22901388
Carbonic anhydrase 9 Ki = 50.0 nM 7.3 Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to subs... 22901388
Carbonic anhydrase 12 Ki = 50.0 nM 7.3 Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to sub... 22901388
Carbonic anhydrase 2 Ki = 87.0 nM 7.06 Inhibition of Cryptococcus neoformans beta carbonic anhydrase Can2 using CO2 as ... 22901388
Aldo-keto reductase family 1 member C2 IC50 = 440.0 nM 6.36 Inhibition of AKR1C2 by fluorimetric method 21277203
Aldo-keto reductase family 1 member C2 IC50 = 440.0 nM 6.36 Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetr... 22263837
Aldo-keto reductase family 1 member C2 IC50 = 440.0 nM 6.36 Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... -
Unchecked Ki = 1070.0 nM 5.97 Inhibition of Candida albicans beta carbonic anhydrase NCE103 using CO2 as subst... 22901388
Carbonic anhydrase 1 Ki = 1200.0 nM 5.92 Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to subs... 22901388
Aldo-keto reductase family 1 member C3 IC50 = 1500.0 nM 5.82 Inhibition of AKR1C3 by fluorimetric method 21277203
Aldo-keto reductase family 1 member C3 IC50 = 1520.0 nM 5.82 Inhibition of recombinant AKR1C3 assessed as NADP+ dependent oxidation of S-tetr... 22263837
Aldo-keto reductase family 1 member C3 IC50 = 1500.0 nM 5.82 Discontinuous Radiometric Assay: Compounds may be evaluated as selective reversi... -
Fatty acid-binding protein, adipocyte IC50 = 51000.0 nM 4.29 Inhibition of FABP4 (unknown origin) 34928151
Fatty acid-binding protein, adipocyte Ki = 50690.3 nM 4.29 Displacement of 1,8-ANS from recombinant human 6His-tagged FABP4 expressed in Es... 32202425
NAD-dependent protein deacetylase sirtuin-1 IC50 = 68000.0 nM 4.17 Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incub... 22642300
NAD-dependent protein deacetylase sirtuin-1 IC50 = 68000.0 nM 4.17 Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Flu... 27153347

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 1395
17418579 10.1016/j.bmc.2007.03.040 ADMET 4
9154974 10.1021/jm9604989 No relevant target 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
22901388 10.1016/j.bmcl.2012.07.094 Carbonic anhydrase 2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
20038108 10.1021/jm901525b Tyrosine-protein kinase Lck 2
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
20038108 10.1021/jm901525b Proto-oncogene tyrosine-protein kinase Src 1
34928151 10.1021/acs.jmedchem.1c01803 Fatty acid-binding protein, adipocyte 1
21277203 10.1016/j.bmcl.2011.01.010 Aldo-keto reductase family 1 member C3 1
21277203 10.1016/j.bmcl.2011.01.010 Aldo-keto reductase family 1 member C2 1
21277203 10.1016/j.bmcl.2011.01.010 Unchecked 1
22263837 10.1021/jm201547v Aldo-keto reductase family 1 member C3 1
22263837 10.1021/jm201547v Aldo-keto reductase family 1 member C2 1
17418579 10.1016/j.bmc.2007.03.040 No relevant target 1
22901388 10.1016/j.bmcl.2012.07.094 Carbonic anhydrase 1 1
8487264 10.1021/jm00061a019 H4 1
22901388 10.1016/j.bmcl.2012.07.094 Carbonic anhydrase 9 1
8487264 10.1021/jm00061a019 No relevant target 1

Data from ChEMBL 36 via Core Engine