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Compound Detail

CHEMBL2323159

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COc1ccc2c(cnc3ccc(O)cc32)c1

Basic Information

ChEMBL ID CHEMBL2323159
Phase Preclinical
Structure Type MOL
InChI Key BNUNXAFDDHNERT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
3.10
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11NO2
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness 0.08

Literature References

PubMed DOI Target Context # Activities
23266176 10.1016/j.bmc.2012.11.011 NON-PROTEIN TARGET 1
23266176 10.1016/j.bmc.2012.11.011 DNA topoisomerase 1 1

Data from ChEMBL 36 via Core Engine