Compound Detail
CHEMBL34173
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Basic Information
| ChEMBL ID | CHEMBL34173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNIPJYFZGXJSDD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
5.41
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.58 | 6.58 | 260.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 260.0 | nM | 6.58 | In vitro inhibition of Acyl coenzyme A:cholesterol acyltransferase 1 from rat li... | 8691472 |
| Sterol O-acyltransferase 1 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of ACAT in rat | 34213340 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17079151 | 10.1016/j.bmc.2006.10.025 | Mus musculus | 10 |
| 28197312 | 10.1021/acsmedchemlett.6b00416 | Plasmodium falciparum | 2 |
| 8691472 | 10.1021/jm9505876 | Sterol O-acyltransferase 1 | 1 |
| 17079151 | 10.1016/j.bmc.2006.10.025 | Rattus norvegicus | 1 |
| 28197312 | 10.1021/acsmedchemlett.6b00416 | Unchecked | 1 |
| 29429576 | 10.1016/j.bmc.2018.01.029 | Acetylcholinesterase | 1 |
| 29429576 | 10.1016/j.bmc.2018.01.029 | Cholinesterase | 1 |
| 29429576 | 10.1016/j.bmc.2018.01.029 | Brain | 1 |
| 32904099 | 10.1039/C9MD00358D | Acetylcholinesterase | 1 |
| 32904099 | 10.1039/C9MD00358D | Cholinesterase | 1 |
| 34213340 | 10.1021/acs.jmedchem.1c00790 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine