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Compound Detail

CHEMBL230098

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COc1cccc(-c2nc3nc(N)nc(N)c3nc2-c2cccc(OC)c2)c1

Basic Information

ChEMBL ID CHEMBL230098
Phase Preclinical
Structure Type MOL
InChI Key OMTVAGKOENPQBI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.94
ALogP
8
HBA
2
HBD
122.1
PSA (Ų)
0.56
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 C20H18N6O2
MW 374.40
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.48

Activity Summary

IC50 1 meas. best 7.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 7.9 7.9 12.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17685602 10.1021/jm051056c Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine