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Compound Detail

CHEMBL4543628

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CC(c1oc(=O)c2ccccc2c1C1=CCN(C)CC1)n1nc(-c2cc(O)cc(F)c2)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4543628
Phase Preclinical
Structure Type MOL
InChI Key QKJLXHNKHNDHAP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

512.5
MW (Da)
4.35
ALogP
9
HBA
2
HBD
123.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25FN6O3
MW 512.55
Aromatic Rings 5
Heavy Atoms 38
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
30582813 10.1021/acs.jmedchem.8b01298 Unchecked 2
30582813 10.1021/acs.jmedchem.8b01298 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
30582813 10.1021/acs.jmedchem.8b01298 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 1

Data from ChEMBL 36 via Core Engine