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Compound Detail

CHEMBL212021

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CC(C)(C)c1ccc(-c2c(C(=O)O)sc(Sc3ccccc3)c2C#N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212021
Phase Preclinical
Structure Type MOL
InChI Key JLFJLXRTPQFYQU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
6.43
ALogP
4
HBA
1
HBD
61.1
PSA (Ų)
0.55
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 C22H19NO2S2
MW 393.53
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.14

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