Compound Detail
CHEMBL18620
CYCLOPENTANONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL18620 |
| Name | CYCLOPENTANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGTOWKSIORTVQH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
84.1
MW (Da)
1.13
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha CHEMBL3108638 | IC50 | 6.87 | 6.87 | 135.8 | 1 |
| E3 ubiquitin-protein ligase TRIM33 CHEMBL2176772 | IC50 | 6.63 | 6.63 | 233.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcription intermediary factor 1-alpha | IC50 | = | 135.8 | nM | 6.87 | Inhibition of recombinant TRIM24 (unknown origin) using biotinylated H3 peptide ... | - |
| E3 ubiquitin-protein ligase TRIM33 | IC50 | = | 233.5 | nM | 6.63 | Inhibition of recombinant TRIM33 PHD bromodomain (unknown origin) using biotinyl... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26733477 | 10.1016/j.bmcl.2015.12.042 | Molecular identity unknown | 4 |
| 7205880 | 10.1021/jm00133a003 | Phenylethanolamine N-methyltransferase | 1 |
| 12873507 | 10.1016/s0960-894x(03)00535-3 | Unchecked | 1 |
| 2033592 | 10.1021/jm00109a021 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine