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Compound Detail

CHEMBL5560259

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CCOc1ccc(-c2ccc3ncn(-c4cc(OC)c(OC)c(OC)c4)c3n2)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560259
Phase Preclinical
Structure Type MOL
InChI Key CYPVQROBITZDRK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.9
MW (Da)
5.17
ALogP
7
HBA
0
HBD
67.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22ClN3O4
MW 439.90
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.14

Literature References

PubMed DOI Target Context # Activities
38996194 10.1021/acs.jmedchem.4c00878 MCF7 1

Data from ChEMBL 36 via Core Engine