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Compound Detail

CHEMBL5565762

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COc1ccc(-c2cc3c(cc2Cl)ncn3-c2cc(OC)c(OC)c(OC)c2)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5565762
Phase Preclinical
Structure Type MOL
InChI Key PHEOCGPLBIUEAS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.9
MW (Da)
5.09
ALogP
7
HBA
1
HBD
75.0
PSA (Ų)
0.45
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21ClN2O5
MW 440.88
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.44

Literature References

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

Data from ChEMBL 36 via Core Engine