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Compound Detail

CHEMBL2170155

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CC(=O)Nc1ccc(/C=C(\C#N)C(N)=S)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2170155
Phase Preclinical
Structure Type MOL
InChI Key ZPJQOEDGLVPGEC-UXBLZVDNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.84
ALogP
3
HBA
2
HBD
78.9
PSA (Ų)
0.48
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 C12H11N3OS
MW 245.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
23006064 10.1021/jm3008773 Tyrosyl-DNA phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine