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Compound Detail

CHEMBL3780565

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Cc1ccc(C2N[C@H](C(=O)O)CS2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3780565
Phase Preclinical
Structure Type MOL
InChI Key HTRWLFRKMUVNPG-RGURZIINSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

223.3
MW (Da)
1.78
ALogP
3
HBA
2
HBD
49.3
PSA (Ų)
0.80
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 C11H13NO2S
MW 223.30
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.21

Literature References

PubMed DOI Target Context # Activities
27017266 10.1016/j.ejmech.2016.03.019 No relevant target 3
30107365 10.1016/j.ejmech.2018.08.004 Tartrate-resistant acid phosphatase type 5 1

Data from ChEMBL 36 via Core Engine