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Compound Detail

CHEMBL506666

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CN(C)c1ccc(/C=C2\SC(=S)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL506666
Phase Preclinical
Structure Type MOL
InChI Key JJRVRELEASDUMY-YFHOEESVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

264.4
MW (Da)
2.24
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2OS2
MW 264.38
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.76

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22077389 10.1021/jm201243p Unchecked 3
25462237 10.1016/j.ejmech.2014.10.042 NON-PROTEIN TARGET 2
19215087 10.1021/jm801278g Unchecked 1
20185317 10.1016/j.bmc.2010.02.001 LL-diaminopimelate aminotransferase, chloroplastic 1
22077389 10.1021/jm201243p Prothrombin 1
25462237 10.1016/j.ejmech.2014.10.042 Vero 1

Data from ChEMBL 36 via Core Engine