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Compound Detail

CHEMBL109663

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Oc1c(C2CCCCC2)cccc1C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL109663
Phase Preclinical
Structure Type MOL
InChI Key AUEZNTKYSSUTGZ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

258.4
MW (Da)
5.49
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.74
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 C18H26O
MW 258.40
Aromatic Rings 1
Heavy Atoms 19
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