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Compound Detail

CHEMBL29873

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CC(C)(C)c1ccc(O)c(C(C)(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL29873
Phase Preclinical
Structure Type MOL
InChI Key ICKWICRCANNIBI-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
3.99
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H22O
MW 206.33
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.06

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
7452689 10.1021/jm00186a013 Mus musculus 2
12109905 10.1021/jm010461a Xenopus laevis 1
12109905 10.1021/jm010461a No relevant target 1
16279782 10.1021/jm050567w L1210 1

Data from ChEMBL 36 via Core Engine