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Compound Detail

CHEMBL3764800

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Nc1cccc(-c2ccc3oc(N4CCOCC4)nc(=O)c3c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3764800
Phase Preclinical
Structure Type MOL
InChI Key RFINHFFEBKEEHW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
2.27
ALogP
6
HBA
1
HBD
81.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O3
MW 323.35
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.00

Literature References

PubMed DOI Target Context # Activities
26854431 10.1016/j.ejmech.2016.01.042 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 2
26854431 10.1016/j.ejmech.2016.01.042 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 2
26854431 10.1016/j.ejmech.2016.01.042 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 2
26854431 10.1016/j.ejmech.2016.01.042 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 2
26854431 10.1016/j.ejmech.2016.01.042 DNA-dependent protein kinase catalytic subunit 1

Data from ChEMBL 36 via Core Engine