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Compound Detail

CHEMBL3353773

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c1ccc(-c2cc(-c3cccs3)nc3c2Cc2ccccc2-3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353773
Phase Preclinical
Structure Type MOL
InChI Key UTMTVXKDPZMJML-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
6.05
ALogP
2
HBA
0
HBD
12.9
PSA (Ų)
0.38
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 C22H15NS
MW 325.44
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
27643560 10.1016/j.ejmech.2016.09.019 NON-PROTEIN TARGET 3
25481396 10.1016/j.bmc.2014.11.010 DNA topoisomerase 2-alpha 2
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 MCF7 1
25481396 10.1016/j.bmc.2014.11.010 DU-145 1
25481396 10.1016/j.bmc.2014.11.010 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine