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Compound Detail

CHEMBL4853245

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COc1cc(NC2=CC(=O)c3c(O)cccc3C2=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4853245
Phase Preclinical
Structure Type MOL
InChI Key TZGCCYQXGILEPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

355.4
MW (Da)
2.79
ALogP
7
HBA
2
HBD
94.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17NO6
MW 355.35
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.62

Literature References

PubMed DOI Target Context # Activities
34303812 10.1016/j.bmcl.2021.128274 MDA-MB-231 1
34303812 10.1016/j.bmcl.2021.128274 MCF7 1
34303812 10.1016/j.bmcl.2021.128274 Unchecked 1

Data from ChEMBL 36 via Core Engine