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Compound Detail

CHEMBL4754150

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O=C(Cc1nnc(-c2ccc3ncccc3c2)o1)N1CCN(c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4754150
Phase Preclinical
Structure Type MOL
InChI Key WYABHLZQGSZCPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
3.18
ALogP
6
HBA
0
HBD
75.4
PSA (Ų)
0.52
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 C23H21N5O2
MW 399.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.72

Literature References

PubMed DOI Target Context # Activities
33199203 10.1016/j.bmc.2020.115863 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine