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Compound Detail

CHEMBL1814646

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CC(=O)c1ccc(CC2SC(=N)NC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814646
Phase Preclinical
Structure Type MOL
InChI Key JIHCAPFXUWZIBG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
1.60
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.80
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 C12H12N2O2S
MW 248.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.40

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21742494 10.1016/j.bmcl.2011.06.060 Amine oxidase [flavin-containing] B 1
21742494 10.1016/j.bmcl.2011.06.060 Amine oxidase [flavin-containing] A 1

Data from ChEMBL 36 via Core Engine