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Compound Detail

CHEMBL307473

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CC1(C)CC(=O)c2csc(-c3cc[nH]n3)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307473
Phase Preclinical
Structure Type MOL
InChI Key OTOFLRVSTDGXCY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
3.29
ALogP
3
HBA
1
HBD
45.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2OS
MW 246.34
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.94

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