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Compound Detail

CHEMBL3353785

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c1ccc(-c2cc(-c3ccccn3)nc3c2Cc2ccccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353785
Phase Preclinical
Structure Type MOL
InChI Key XUFGXVKKXVWNES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
5.38
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.44
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 C23H16N2
MW 320.40
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
27643560 10.1016/j.ejmech.2016.09.019 NON-PROTEIN TARGET 3
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
25481396 10.1016/j.bmc.2014.11.010 DNA topoisomerase 1 1
25481396 10.1016/j.bmc.2014.11.010 DNA topoisomerase 2-alpha 1

Data from ChEMBL 36 via Core Engine