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Compound Detail

CHEMBL2062546

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COc1ccc(-c2ccc3nc(NC(C)=O)nn3c2)cc1S(=O)(=O)NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2062546
Phase Preclinical
Structure Type MOL
InChI Key UNPQQIGLHCRVRP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
2.84
ALogP
7
HBA
2
HBD
114.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N5O4S
MW 451.51
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1
22819766 10.1016/j.bmcl.2012.06.049 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine