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Compound Detail

CHEMBL3946205

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Oc1ccccc1-c1cc(-c2ccco2)nc2c1Cc1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3946205
Phase Preclinical
Structure Type MOL
InChI Key QIZGINQGIVXJIV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
5.29
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15NO2
MW 325.37
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
27643560 10.1016/j.ejmech.2016.09.019 NON-PROTEIN TARGET 4
27643560 10.1016/j.ejmech.2016.09.019 DNA topoisomerase 1 2
27643560 10.1016/j.ejmech.2016.09.019 DNA topoisomerase 2-alpha 2

Data from ChEMBL 36 via Core Engine