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Compound Detail

CHEMBL11662

OZAGREL
💊 Approved Drug
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💊 Approved Drug
O=C(O)/C=C/c1ccc(Cn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11662
Name OZAGREL
Phase Approved
Structure Type MOL
InChI Key SHZKQBHERIJWAO-AATRIKPKSA-N

Known Names

KCT-0809 Ozagrel
5
Targets
20
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications
1
Mechanisms

Molecular Properties

228.2
MW (Da)
2.03
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1988
Availability Unknown
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Stem -grel

Extended Properties

Molecular Formula C13H12N2O2
MW 228.25
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.77

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Thromboxane-A synthase inhibitor INHIBITOR Thromboxane-A synthase ✓ ✓

Indications

Dry Eye Syndromes

Activity Summary

IC50 20 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thromboxane-A synthase
CHEMBL1835
 IC50 7.62 6.6875 24.0 8
Thromboxane-A synthase
CHEMBL4028
 IC50 6.7 6.53 200.0 3
Homo sapiens
CHEMBL372
 IC50 5.72 5.6 1900.0 2
Rattus norvegicus
CHEMBL376
 IC50 5.35 5.35 4500.0 1
Platelet
CHEMBL4296519
 IC50 4.28 4.28 53100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thromboxane-A synthase IC50 = 24.0 nM 7.62 In vitro inhibition of thromboxane synthase (TXA2) in human platelet microsomes ... 11858999
Thromboxane-A synthase IC50 = 24.0 nM 7.62 Thromboxane A2 synthase inhibitory activity was measured from inhibition of thro... 11992782
Thromboxane-A synthase IC50 = 24.0 nM 7.62 In vitro inhibition of TXB2 production by incubating prostaglandin H2 with human... 11814792
Thromboxane-A synthase IC50 = 60.0 nM 7.22 Tested in vitro against TXA2 synthetase inhibitory activity in human microsome 8258828
Thromboxane-A synthase IC50 = 200.0 nM 6.7 Tested in vitro against TXA2 synthetase inhibitory activity in rat platelet 8258828
Thromboxane-A synthase IC50 = 200.0 nM 6.7 Tested in vitro against TXA2 synthetase inhibitory activity in rat whole blood 8258828
Thromboxane-A synthase IC50 = 300.0 nM 6.52 Tested in vitro against TXA2 synthetase inhibitory activity in human platelet 8258828
Thromboxane-A synthase IC50 = 640.0 nM 6.19 In vitro inhibition of thromboxane-A2 synthase in rat whole blood during clottin... 7932586
Thromboxane-A synthase IC50 = 900.0 nM 6.05 Tested in vitro against TXA2 synthetase inhibitory activity in human whole blood 8258828
Thromboxane-A synthase IC50 = 1400.0 nM 5.85 Inhibition of thromboxane A2 synthetase as reduced ADP-induced aggregation of hu... 2704033
Homo sapiens IC50 = 1900.0 nM 5.72 Inhibitory activity of the compound against Thromboxane TXB2 production in human... 8759636
Homo sapiens IC50 = 3300.0 nM 5.48 In vitro inhibition of Thromboxane A2 synthesis in human platelet 7658441
Rattus norvegicus IC50 = 4500.0 nM 5.35 In vitro inhibition of thromboxane A2 production in rat platelet-rich plasma. 2724303
Thromboxane-A synthase IC50 = 10000.0 nM 5.0 Inhibitory activity against Thromboxane A2 synthase in human platelet microsome -
Platelet IC50 = 53100.0 nM 4.28 Antiplatelet activity in human platelet rich plasma assessed as inhibition of ar... 28453995

Literature References

PubMed DOI Target Context # Activities
2724303 10.1021/jm00126a031 Rattus norvegicus 9
8258828 10.1021/jm00077a009 Thromboxane-A synthase 7
- 10.6019/CHEMBL5303304 Fibroblast 6
- 10.1039/C4MD00022F NON-PROTEIN TARGET 5
- 10.1039/C3MD20352B NON-PROTEIN TARGET 5
21993151 10.1016/j.ejmech.2011.09.030 NON-PROTEIN TARGET 5
- 10.6019/CHEMBL5303304 HEK-293T 4
- 10.6019/CHEMBL5303304 U2OS 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
8759636 10.1021/jm950725r Homo sapiens 4
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 3
11858999 10.1016/s0960-894x(02)00005-7 Thromboxane-A synthase 3
33611185 10.1016/j.ejmech.2021.113255 Cytochrome P450 4Z1 2
2704033 10.1021/jm00124a027 Thromboxane-A synthase 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
11858999 10.1016/s0960-894x(02)00005-7 Mus musculus 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
8258828 10.1021/jm00077a009 Rattus norvegicus 2
8258827 10.1021/jm00077a008 Cavia porcellus 2

Data from ChEMBL 36 via Core Engine