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Compound Detail

CHEMBL502174

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Cc1cc(F)ccc1NCc1cc(C(=O)O)cc(Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL502174
Phase Preclinical
Structure Type MOL
InChI Key IBJHFXWULONXCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

294.7
MW (Da)
3.49
ALogP
3
HBA
2
HBD
62.2
PSA (Ų)
0.85
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 C14H12ClFN2O2
MW 294.71
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.70

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