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Compound Detail

CHEMBL316590

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COc1ccc2sc(=O)ncc2c1

Basic Information

ChEMBL ID CHEMBL316590
Phase Preclinical
Structure Type MOL
InChI Key OWBLMYAXUPUSKU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
1.67
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H7NO2S
MW 193.23
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 4.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
IC50 4.89 4.89 13000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 13000.0 nM 4.89 In vitro inhibition of cyclic AMP phosphodiesterase from human platelets. 3027338

Literature References

PubMed DOI Target Context # Activities
3027338 10.1021/jm00385a011 Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine