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Compound Detail

CHEMBL385502

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CC(C)(C)c1ccc(-c2c(C#N)csc2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL385502
Phase Preclinical
Structure Type MOL
InChI Key LXGOZTHYUCARGI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
4.28
ALogP
3
HBA
1
HBD
61.1
PSA (Ų)
0.90
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 C16H15NO2S
MW 285.37
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.07

Literature References

PubMed DOI Target Context # Activities
16879964 10.1016/j.bmcl.2006.07.035 Glutamate receptor 4 2
16879964 10.1016/j.bmcl.2006.07.035 Glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine