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Compound Detail

CHEMBL4782309

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C[C@H](CS)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4782309
Phase Preclinical
Structure Type MOL
InChI Key GDGPVPYTXHNOSO-BXKDBHETSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

279.4
MW (Da)
1.59
ALogP
3
HBA
2
HBD
57.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17NO3S
MW 279.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
33302045 10.1016/j.bmc.2020.115902 Unchecked 1

Data from ChEMBL 36 via Core Engine