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Compound Detail

CHEMBL3353766

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c1coc(-c2cc(-c3ccsc3)c3c(n2)-c2ccccc2C3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353766
Phase Preclinical
Structure Type MOL
InChI Key XGJSOHOLFJGQJL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
5.64
ALogP
3
HBA
0
HBD
26.0
PSA (Ų)
0.42
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 C20H13NOS
MW 315.40
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
25481396 10.1016/j.bmc.2014.11.010 DNA topoisomerase 2-alpha 3
25481396 10.1016/j.bmc.2014.11.010 DNA topoisomerase 1 2
25481396 10.1016/j.bmc.2014.11.010 NON-PROTEIN TARGET 1
25481396 10.1016/j.bmc.2014.11.010 DU-145 1
25481396 10.1016/j.bmc.2014.11.010 HeLa 1
25481396 10.1016/j.bmc.2014.11.010 MCF7 1

Data from ChEMBL 36 via Core Engine