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Compound Detail

CHEMBL26756

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C/C(=C\c1ccc(Cc2cncs2)cc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL26756
Phase Preclinical
Structure Type MOL
InChI Key AURMAKANMYSRKN-UXBLZVDNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
3.22
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO2S
MW 259.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 6.66 6.66 220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 220.0 nM 6.66 In vitro inhibition of thromboxane A2 production in rat platelet-rich plasma. 2724303

Literature References

PubMed DOI Target Context # Activities
2724303 10.1021/jm00126a031 Rattus norvegicus 9

Data from ChEMBL 36 via Core Engine