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Compound Detail

CHEMBL577683

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COc1ccc(C2N[C@H](C(=O)O)CS2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL577683
Phase Preclinical
Structure Type MOL
InChI Key ZQRSXNJVEHLFCE-RGURZIINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

239.3
MW (Da)
1.48
ALogP
4
HBA
2
HBD
58.6
PSA (Ų)
0.84
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 C11H13NO3S
MW 239.30
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.04

Literature References

PubMed DOI Target Context # Activities
27017266 10.1016/j.ejmech.2016.03.019 No relevant target 3
19423200 10.1016/j.ejmech.2009.04.014 Bacillus subtilis 1
19423200 10.1016/j.ejmech.2009.04.014 Staphylococcus aureus 1
19423200 10.1016/j.ejmech.2009.04.014 Escherichia coli 1
19423200 10.1016/j.ejmech.2009.04.014 Pseudomonas aeruginosa 1
30107365 10.1016/j.ejmech.2018.08.004 Tartrate-resistant acid phosphatase type 5 1

Data from ChEMBL 36 via Core Engine