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Compound Detail

CHEMBL4755607

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C[C@H](Nc1ncnc2[nH]cnc12)c1cc2ccccn2c(=O)c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4755607
Phase Preclinical
Structure Type MOL
InChI Key GYKIIJNWTSFZAX-AWEZNQCLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.81
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18N6O
MW 382.43
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.87

Literature References

PubMed DOI Target Context # Activities
33297683 10.1021/acs.jmedchem.0c01264 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 3
33297683 10.1021/acs.jmedchem.0c01264 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform 3
33297683 10.1021/acs.jmedchem.0c01264 ADMET 3
33297683 10.1021/acs.jmedchem.0c01264 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1
33297683 10.1021/acs.jmedchem.0c01264 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine