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Compound Detail

CHEMBL3353777

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c1csc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3353777
Phase Preclinical
Structure Type MOL
InChI Key NFGSQDZIRSGKFJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

331.5
MW (Da)
6.11
ALogP
3
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 C20H13NS2
MW 331.47
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.68

Literature References

PubMed DOI Target Context # Activities
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
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