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Compound Detail

CHEMBL307218

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CSc1sc(-c2ccccc2)c2c1C(=O)CC(C)(C)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307218
Phase Preclinical
Structure Type MOL
InChI Key UTAFYYODHNXNBD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

302.5
MW (Da)
5.29
ALogP
3
HBA
0
HBD
17.1
PSA (Ų)
0.70
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18OS2
MW 302.46
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.40

Literature References

PubMed DOI Target Context # Activities
12747794 10.1021/jm020582q GABA-A receptor; alpha-5/beta-3/gamma-2 1
12747794 10.1021/jm020582q GABA-A receptor; alpha-1/beta-3/gamma-2 1
12747794 10.1021/jm020582q GABA-A receptor; alpha-2/beta-3/gamma-2 1
12747794 10.1021/jm020582q GABA-A receptor; alpha-3/beta-3/gamma-2 1

Data from ChEMBL 36 via Core Engine