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Compound Detail

CHEMBL2443050

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COc1ccccc1-c1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2443050
Phase Preclinical
Structure Type MOL
InChI Key CRVDWSGKJLMDHA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
3.67
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N2O3
MW 374.44
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.59

Literature References

PubMed DOI Target Context # Activities
24054489 10.1016/j.bmc.2013.08.039 Saccharomyces cerevisiae 1
24054489 10.1016/j.bmc.2013.08.039 DNA topoisomerase 1 1
24054489 10.1016/j.bmc.2013.08.039 DNA topoisomerase 2-alpha 1
24054489 10.1016/j.bmc.2013.08.039 SK-BR-3 1
24054489 10.1016/j.bmc.2013.08.039 MCF7 1

Data from ChEMBL 36 via Core Engine