Compound Detail
CHEMBL18737
CYCLOOCTANONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL18737 |
| Name | CYCLOOCTANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIRFCWANHMSDCG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
126.2
MW (Da)
2.30
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 6.78 | 6.78 | 166.3 | 1 |
| E3 ubiquitin-protein ligase TRIM33 CHEMBL2176772 | IC50 | 6.6 | 6.6 | 249.8 | 1 |
| Phenylethanolamine N-methyltransferase CHEMBL2331 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 166.3 | nM | 6.78 | Inhibition of recombinant TRIM24 (unknown origin) using biotinylated H3 peptide ... | - |
| E3 ubiquitin-protein ligase TRIM33 | IC50 | = | 249.8 | nM | 6.6 | Inhibition of recombinant TRIM33 PHD bromodomain (unknown origin) using biotinyl... | - |
| Phenylethanolamine N-methyltransferase | IC50 | = | 72000.0 | nM | 4.14 | Inhibitory activity against phenylethanolamine N-methyl-transferase | 7205880 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7205880 | 10.1021/jm00133a003 | Phenylethanolamine N-methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine