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Compound Detail

CHEMBL267473

DAZOXIBEN
🧪 Phase II
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🧪 Phase II
O=C(O)c1ccc(OCCn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267473
Name DAZOXIBEN
Phase Phase II
Structure Type MOL
InChI Key XQGZSYKGWHUSDH-UHFFFAOYSA-N

Known Names

Dazoxiben Dazoxibene UK-37248
5
Targets
30
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

232.2
MW (Da)
1.66
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Year 1981

Extended Properties

Molecular Formula C12H12N2O3
MW 232.24
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.29

Activity Summary

IC50 25 meas. best 8.52
Kd 5 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Thromboxane-A synthase
CHEMBL1835
 IC50 8.52 6.9593 3.0 15
Thromboxane-A synthase
CHEMBL4028
 IC50 6.97 6.195 106.0 6
Homo sapiens
CHEMBL372
 IC50 5.64 5.47 2280.0 2
Unchecked
CHEMBL612545
 IC50 5.0 5.0 10000.0 1
Rattus norvegicus
CHEMBL376
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Thromboxane-A synthase IC50 = 3.0 nM 8.52 Inhibitory activity against thromboxane A2 synthetase 3930740
Thromboxane-A synthase IC50 = 3.0 nM 8.52 In vitro inhibition of thromboxane synthase from human platelets. 3746813
Thromboxane-A synthase IC50 = 3.0 nM 8.52 Inhibition of TXA2 synthetase from human platelets 3081722
Thromboxane-A synthase IC50 = 3.0 nM 8.52 Inhibition of thromboxane TXA2 synthetase from human platelets 3091830
Thromboxane-A synthase IC50 = 28.0 nM 7.55 In vitro inhibition of Thromboxane synthase using [14C]arachidonic acid as radio... 1829485
Thromboxane-A synthase IC50 = 70.0 nM 7.16 In vitro inhibitory activity against human microsomal thromboxane synthase. 7752186
Thromboxane-A synthase IC50 = 106.0 nM 6.97 Inhibition of thromboxane A2 synthetase 2724299
Thromboxane-A synthase IC50 = 106.0 nM 6.97 Inhibition of platelet microsomal thromboxane A synthetase in rabbits 2724299
Thromboxane-A synthase IC50 = 150.0 nM 6.82 Tested for inhibition of thromboxane synthetase from spontaneously hypertensive ... 3681898
Thromboxane-A synthase IC50 = 250.0 nM 6.6 Inhibition of human platelet thromboxane synthase (TXA2) was determined in human... 2879917
Thromboxane-A synthase IC50 = 300.0 nM 6.52 Inhibitory activity to inhibit Inophore-induced arachidonic acid metabolism (inh... 2547071
Thromboxane-A synthase IC50 = 620.0 nM 6.21 Inhibition of platelet microsomal thromboxane A synthetase in humans 2724299
Thromboxane-A synthase IC50 = 1100.0 nM 5.96 Inhibition of thromboxane synthase P450 TXA2 11087568
Thromboxane-A synthase IC50 = 1100.0 nM 5.96 Inhibition of Thromboxane-A synthase 10794700
Thromboxane-A synthase IC50 = 1200.0 nM 5.92 In vitro inhibition of thromboxane B2 production in rat whole blood. 8411014
Thromboxane-A synthase IC50 = 1290.0 nM 5.89 Tested for inhibitory activity against intact human platelet TXA2 formation 3305945
Thromboxane-A synthase IC50 = 1290.0 nM 5.89 Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in... 3656356
Thromboxane-A synthase IC50 = 1500.0 nM 5.82 Inhibition of thromboxane formation at a concentration of 10e -6 M. 3585902
Thromboxane-A synthase IC50 = 1500.0 nM 5.82 Compound was tested for inhibitory activity against thromboxane synthetase 3959030
Thromboxane-A synthase IC50 = 1500.0 nM 5.82 Compound was tested for the inhibition of thromboxane formation (thromboxane syn... 3517332

Literature References

PubMed DOI Target Context # Activities
2299629 10.1021/jm00164a028 Homo sapiens 10
2724303 10.1021/jm00126a031 Rattus norvegicus 8
2704033 10.1021/jm00124a027 Mus musculus 7
3681898 10.1021/jm00395a016 Oryctolagus cuniculus 6
7752186 10.1021/jm00010a005 Canis familiaris 6
3735314 10.1021/jm00158a024 Thromboxane-A synthase 5
2879917 10.1021/jm00384a031 Cavia porcellus 5
10794700 10.1021/jm991180u Thromboxane-A synthase 5
2724299 10.1021/jm00126a020 Thromboxane-A synthase 4
7752186 10.1021/jm00010a005 Rattus norvegicus 4
2299629 10.1021/jm00164a028 Rattus norvegicus 4
2970551 10.1021/jm00117a028 Homo sapiens 3
3656356 10.1021/jm00393a022 Cavia porcellus 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
3681898 10.1021/jm00395a016 Thromboxane-A synthase 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
3959030 10.1021/jm00154a017 Thromboxane-A synthase 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
3091830 10.1021/jm00159a013 Cyclooxygenase 1
3091830 10.1021/jm00159a013 Prostacyclin synthase 1

Data from ChEMBL 36 via Core Engine