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Compound Detail

CHEMBL1908355

TENIDAP
🧪 Phase II
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🧪 Phase II
NC(=O)N1C(=O)/C(=C(\O)c2cccs2)c2cc(Cl)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1908355
Name TENIDAP
Phase Phase II
Structure Type MOL
InChI Key LXIKEPCNDFVJKC-QXMHVHEDSA-N

Known Names

CP-66,248 CP-66248 Tenidap
11
Targets
12
Activities
1
Assay Types
0
PK Parameters
20
Publications
3
Known Names
1
Indications

Molecular Properties

320.8
MW (Da)
3.25
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -nidap
USAN Year 1990

Extended Properties

Molecular Formula C14H9ClN2O3S
MW 320.76
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.17

Indications

Rheumatic Diseases

ATC Classification

M01AX23
tenidap
Level 1: MUSCULO-SKELETAL SYSTEM
Level 2: ANTIINFLAMMATORY AND ANTIRHEUMATIC PRODUCTS

Activity Summary

IC50 12 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclooxygenase
CHEMBL2095157
 IC50 8.0 7.64 10.0 2
Prostaglandin G/H synthase 1
CHEMBL221
 IC50 7.26 7.26 55.0 1
Prostaglandin G/H synthase 2
CHEMBL230
 IC50 6.57 6.57 267.0 1
Cytochrome P450 2C9
CHEMBL3397
 IC50 6.16 6.16 700.0 1
Cytochrome P450 1A2
CHEMBL3356
 IC50 6.0 6.0 1000.0 1
Prostaglandin G/H synthase 1
CHEMBL3334
 IC50 5.59 5.59 2560.0 1
Prostaglandin G/H synthase 2
CHEMBL1293198
 IC50 5.08 5.08 8400.0 1
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
 IC50 5.05 5.05 9000.0 1
THP-1
CHEMBL614245
 IC50 4.8 4.8 16000.0 1
Unchecked
CHEMBL612545
 IC50 4.43 4.43 36700.0 1
Rattus norvegicus
CHEMBL376
 IC50 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclooxygenase IC50 = 10.0 nM 8.0 In vitro inhibition of Prostaglandin G/H synthase pathway in rat basophilic leuk... 2113951
Cyclooxygenase IC50 = 53.0 nM 7.28 In vitro inhibitory effect on production of prostaglandin E2 (PGE2) in rat synov... 10821716
Prostaglandin G/H synthase 1 IC50 = 55.0 nM 7.26 DRUGMATRIX: Cyclooxygenase COX-1 enzyme inhibition (substrate: Arachidonic acid) -
Prostaglandin G/H synthase 2 IC50 = 267.0 nM 6.57 DRUGMATRIX: Cyclooxygenase COX-2 enzyme inhibition (substrate: Arachidonic acid) -
Cytochrome P450 2C9 IC50 = 700.0 nM 6.16 DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) -
Cytochrome P450 1A2 IC50 = 1000.0 nM 6.0 DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) -
Prostaglandin G/H synthase 1 IC50 = 2560.0 nM 5.59 Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 1... 21055929
Prostaglandin G/H synthase 2 IC50 = 8400.0 nM 5.08 Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 1... 21055929
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 9000.0 nM 5.05 In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1)... 2113951
THP-1 IC50 = 16000.0 nM 4.8 In vitro effect on production of lipopolysaccharide (LPS) -induced IL1-beta in h... 10821716
Unchecked IC50 = 36700.0 nM 4.43 Inhibition of 5-LOX in rabbit peripheral venous blood assessed as formation of L... 21055929
Rattus norvegicus IC50 = 45000.0 nM 4.35 In vitro effect on production of calcium ionophore (A23187) -induced Leukotriene... 10821716

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 320
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
10821716 10.1021/jm9906015 Rattus norvegicus 7
21055929 10.1016/j.bmcl.2010.10.056 Rattus norvegicus 4
1495017 10.1021/jm00093a020 Rattus norvegicus 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
21055929 10.1016/j.bmcl.2010.10.056 Unchecked 2
21055929 10.1016/j.bmcl.2010.10.056 Prostaglandin G/H synthase 2 1
21458999 10.1016/j.bmc.2011.03.011 Caco-2 1
21112128 10.1016/j.ejmech.2010.11.005 ADMET 1
21055929 10.1016/j.bmcl.2010.10.056 Mus musculus 1
20022146 10.1016/j.ejmech.2009.11.034 Homo sapiens 1
10821716 10.1021/jm9906015 THP-1 1
10821716 10.1021/jm9906015 Cyclooxygenase 1
2113951 10.1021/jm00169a035 Rattus norvegicus 1
2113951 10.1021/jm00169a035 Polyunsaturated fatty acid 5-lipoxygenase 1
2113951 10.1021/jm00169a035 Cyclooxygenase 1

Data from ChEMBL 36 via Core Engine