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Compound Detail

CHEMBL472084

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Cc1cc(F)ccc1OCc1cc(C(=O)NO)cc(N2CCOCC2)n1

Basic Information

ChEMBL ID CHEMBL472084
Phase Preclinical
Structure Type MOL
InChI Key JJTTYSKPHJJDFZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

361.4
MW (Da)
2.06
ALogP
6
HBA
2
HBD
83.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20FN3O4
MW 361.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.91

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
CHEMBL3267
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19297156 10.1016/j.bmcl.2009.02.115 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1
19297156 10.1016/j.bmcl.2009.02.115 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine