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Compound Detail

CHEMBL4459544

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Nc1ncc(C(=O)C2CC2)c(N2CC[C@H]2c2nn3ccc(Cl)c3c(=O)n2-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459544
Phase Preclinical
Structure Type MOL
InChI Key ABQOSUIWBGFZEI-KRWDZBQOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

461.9
MW (Da)
3.05
ALogP
9
HBA
1
HBD
111.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20ClN7O2
MW 461.91
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
31033293 10.1021/acs.jmedchem.8b02014 PI3K p110 beta/p85 alpha 1
31033293 10.1021/acs.jmedchem.8b02014 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1
31033293 10.1021/acs.jmedchem.8b02014 PI3-kinase p110-delta/p85-alpha 1

Data from ChEMBL 36 via Core Engine