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Compound Detail

CHEMBL5204523

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Cc1cc(C(C)Oc2ccc(Cl)c(C)c2)c2oc(N3CCOCC3)nc(=O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5204523
Phase Preclinical
Structure Type MOL
InChI Key MEEKBQHYQPQDPW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.9
MW (Da)
4.43
ALogP
6
HBA
0
HBD
64.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23ClN2O4
MW 414.89
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
35752141 10.1016/j.bmc.2022.116832 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform 1

Data from ChEMBL 36 via Core Engine