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Compound Detail

CHEMBL1956800

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COc1ccc(/C=C2\NC(=S)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1956800
Phase Preclinical
Structure Type MOL
InChI Key XNQUYEHNKGAJNI-TWGQIWQCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
1.04
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.59
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 C11H10N2O2S
MW 234.28
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.73

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22077389 10.1021/jm201243p Unchecked 3
22077389 10.1021/jm201243p Prothrombin 1
34826680 10.1016/j.bmc.2021.116518 Unchecked 1

Data from ChEMBL 36 via Core Engine