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Compound Detail

CHEMBL3900373

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Oc1ccccc1-c1cc(-c2ccsc2)nc2c1Cc1ccccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3900373
Phase Preclinical
Structure Type MOL
InChI Key IBGLOQGROLVIES-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
5.75
ALogP
3
HBA
1
HBD
33.1
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 C22H15NOS
MW 341.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.76

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