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Compound Detail

CHEMBL1814647

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O=C(O)C(Cc1ccc(O)cc1)N1C(=O)CSC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1814647
Phase Preclinical
Structure Type MOL
InChI Key MJXXLOVNUUHQQM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
1.25
ALogP
5
HBA
2
HBD
77.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO4S2
MW 297.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.41

Activity Summary

IC50 1 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