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Compound Detail

CHEMBL384175

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CCOC(=O)c1sc(SC)c(C#N)c1-c1ccc(C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL384175
Phase Preclinical
Structure Type MOL
InChI Key ITBKXYIQENUVSN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

359.5
MW (Da)
5.48
ALogP
5
HBA
0
HBD
50.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21NO2S2
MW 359.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.28

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