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Compound Detail

CHEMBL3394147

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COc1ccccc1-c1cc(SC)c(C#N)c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3394147
Phase Preclinical
Structure Type MOL
InChI Key NIKCWUVRVGVJGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.64
ALogP
4
HBA
1
HBD
65.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H12N2O2S
MW 272.33
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
25486447 10.1021/jm5012947 Thymidylate kinase 1

Data from ChEMBL 36 via Core Engine