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Compound Detail

CHEMBL112891

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CC(C)c1cccc(C(C)C)c1N=C=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL112891
Phase Preclinical
Structure Type MOL
InChI Key HZGOUCYIYIFQHX-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

219.3
MW (Da)
4.67
ALogP
2
HBA
0
HBD
12.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H17NS
MW 219.35
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.28

Activity Summary

EC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
12109905 10.1021/jm010461a GABA-A receptor; alpha-1/beta-2/gamma-2 2
12109905 10.1021/jm010461a Xenopus laevis 1
12109905 10.1021/jm010461a No relevant target 1

Data from ChEMBL 36 via Core Engine