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Compound Detail

CHEMBL31352

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CC(C)c1cccc(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL31352
Phase Preclinical
Structure Type MOL
InChI Key UNEATYXSUBPPKP-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

162.3
MW (Da)
3.93
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H18
MW 162.28
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -0.19

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
12672239 10.1021/jm021077w Oryctolagus cuniculus 1

Data from ChEMBL 36 via Core Engine