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Compound Detail

CHEMBL63323

NIFLUMIC ACID
🧪 Phase II
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🧪 Phase II
O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63323
Name NIFLUMIC ACID
Phase Phase II
Structure Type MOL
InChI Key JZFPYUNJRRFVQU-UHFFFAOYSA-N

Known Names

Acide niflumique Acido niflumico Niflugel Niflumic acid NSC-758196 UP 83 UP-83
9
Targets
31
Activities
4
Assay Types
0
PK Parameters
20
Publications
7
Known Names
3
Indications

Molecular Properties

282.2
MW (Da)
3.54
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C13H9F3N2O2
MW 282.22
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.54

Indications

Arthralgia Myalgia Rheumatic Diseases

ATC Classification

M01AX02
niflumic acid
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS
M02AA17
niflumic acid
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: TOPICAL PRODUCTS FOR JOINT AND MUSCULAR PAIN

Activity Summary

IC50 19 meas. best 6.54
Kd 6 meas. best 6.58
EC50 5 meas. best 5.96
Ki 1 meas. best 5.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transthyretin
CHEMBL3194
 Kd 6.58 6.405 260.0 2
Transthyretin
CHEMBL3194
 IC50 6.54 6.54 289.0 2
Unchecked
CHEMBL612545
 IC50 6.54 5.58 289.0 3
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 6.04 6.04 918.0 1
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 5.97 5.97 1064.0 1
G-protein coupled receptor 35
CHEMBL1293267
 EC50 5.96 5.126 1110.0 5
G-protein coupled receptor 35
CHEMBL1293267
 IC50 5.89 5.89 1280.0 1
G-protein coupled receptor 35
CHEMBL1293267
 Ki 5.44 5.44 3610.0 1
Transcriptional enhancer factor TEF-3
CHEMBL4295828
 IC50 5.23 4.805 5900.0 2
UDP-glucuronosyltransferase 1A1
CHEMBL1287617
 IC50 4.89 4.585 13000.0 2
Dihydroorotate dehydrogenase (quinone), mitochondrial
CHEMBL1966
 IC50 4.77 4.77 17000.0 1
Transcriptional enhancer factor TEF-3
CHEMBL4295828
 Kd 4.55 4.55 28000.0 4
Transcription factor SOX-18
CHEMBL4523228
 IC50 4.3 4.3 50500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transthyretin Kd = 260.0 nM 6.58 Binding affinity to TTR (unknown origin) by isothermal titration calorimetric an... 26214366
Transthyretin IC50 = 289.0 nM 6.54 FP Assay: The FP assay was then adapted for HTS and used to screen ~120,000 smal... -
Unchecked IC50 = 289.0 nM 6.54 The FP assay: The FP assay was then adapted for HTS and used to screen a ˜120,00... -
Transthyretin IC50 = 289.0 nM 6.54 Fluorescence Polarization Binding Assay: Table 3: The FP assay was then adapted ... -
Transthyretin Kd = 592.0 nM 6.23 Determination of Binding Constants of HITS to TTR: Dissociation Constants (Kd) a... -
Prostaglandin G/H synthase 2 IC50 = 918.0 nM 6.04 DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) -
Prostaglandin G/H synthase 1 IC50 = 1064.0 nM 5.97 DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) -
G-protein coupled receptor 35 EC50 = 1110.0 nM 5.96 Agonist activity at human GPR35 by DMR assay 23888932
G-protein coupled receptor 35 EC50 = 1150.0 nM 5.94 Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic... 24900447
G-protein coupled receptor 35 IC50 = 1280.0 nM 5.89 Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of... 24900447
G-protein coupled receptor 35 Ki = 3610.0 nM 5.44 Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells... 23888932
Transcriptional enhancer factor TEF-3 IC50 = 5900.0 nM 5.23 Inhibition of FITC-labeled palmitate tracer binding to N-terminal His6-tagged hu... 32907324
Unchecked IC50 = 8000.0 nM 5.1 Inhibition of mycophenolic acid (1 mM) glucuronidation by human UGT enzymes from... 15781124
Unchecked IC50 = 8000.0 nM 5.1 Inhibition of mycophenolic acid (0.5 mM) glucuronidation by human kidney microso... 15781124
UDP-glucuronosyltransferase 1A1 IC50 = 13000.0 nM 4.89 Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as red... 21030469
G-protein coupled receptor 35 EC50 = 15000.0 nM 4.82 Agonist activity at human GPR35 expressed in HEK293T cells at 5 uM by EYPF-based... 23888932
Dihydroorotate dehydrogenase (quinone), mitochondrial IC50 = 17000.0 nM 4.77 Inhibition of human recombinant DHODH 27994748
Transcriptional enhancer factor TEF-3 Kd = 28000.0 nM 4.55 Binding affinity to human His-tagged TEAD4 YBD (217 to 434 residues) expressed i... 29251924
Transcriptional enhancer factor TEF-3 Kd = 28000.0 nM 4.55 Binding affinity to N-terminal His6-tagged human TEAD4 YAP binding domain (217 t... 32907324
Transcriptional enhancer factor TEF-3 Kd = 28000.0 nM 4.55 Binding affinity to His-tagged TEAD4 YPD domain (217 to 434 residues) (unknown o... 34509860

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
24900447 10.1021/ml2003058 G-protein coupled receptor 35 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
23888932 10.1021/jm4009373 G-protein coupled receptor 35 5
- 10.1007/s00044-012-0235-3 Rattus norvegicus 5
37770003 10.1016/j.bmcl.2023.129488 Transcriptional enhancer factor TEF-3 4
32907324 10.1021/acs.jmedchem.0c01275 Transcriptional enhancer factor TEF-3 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 3
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
21030469 10.1124/dmd.110.035030 UDP-glucuronosyltransferase 1A1 2
26214366 10.1021/acs.jmedchem.5b00544 Transthyretin 2
26588045 10.1021/acs.jmedchem.5b00671 Potassium channel subfamily K member 2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
15781124 10.1016/j.pharmthera.2004.10.013 Unchecked 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
33007663 10.1016/j.ejmech.2020.112855 Unchecked 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2

Data from ChEMBL 36 via Core Engine