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Compound Detail

CHEMBL211112

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COc1ccccc1-c1ccc(/C=C2\SC(=O)NC2=O)o1

Basic Information

ChEMBL ID CHEMBL211112
Phase Preclinical
Structure Type MOL
InChI Key KSBRXTQOZDUEGL-JYRVWZFOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
3.28
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11NO4S
MW 301.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.12

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16789742 10.1021/jm0601598 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
25050878 10.1016/j.ejmech.2014.07.056 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine