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Compound Detail

CHEMBL110569

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CSc1cc(-c2cccs2)oc(=O)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL110569
Phase Preclinical
Structure Type MOL
InChI Key SUSMGQGDFSRWKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

249.3
MW (Da)
2.96
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H7NO2S2
MW 249.32
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.60

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)10155-X Rattus norvegicus 5
25486447 10.1021/jm5012947 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine