Compound Detail
CHEMBL23602
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Basic Information
| ChEMBL ID | CHEMBL23602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQVVVKMUKKGGQC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
444.7
MW (Da)
7.58
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.05 | 7.7567 | 9.0 | 3 |
| Acyl-CoA:cholesterol acyltransferase CHEMBL6141 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 6026.53 | nM | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtain... | 8632433 |
| Unchecked | IC50 | = | 9.0 | nM | 8.05 | Inhibition of New Zealand white rabbit liver microsome SOAT assessed as incorpor... | 36473091 |
| Acyl-CoA:cholesterol acyltransferase | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against Acyl coenzyme A:cholesterol acyltransferase 1 obtain... | 8632433 |
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of small intimal microsomal fraction of cholesterol-fed rabbit ACAT u... | 36473091 |
| Rattus norvegicus | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against foam cell formation (acetyl-LDL-induced cholesteryl ... | 8632433 |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of formation of foam cells in rat peritoneal macrophages | 36473091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632433 | 10.1021/jm950828+ | Rattus norvegicus | 3 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Unchecked | 3 |
| 8632433 | 10.1021/jm950828+ | Acyl-CoA:cholesterol acyltransferase | 1 |
| 8632433 | 10.1021/jm950828+ | Sterol O-acyltransferase 1 | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | Syrian golden hamster | 1 |
| 36473091 | 10.1021/acs.jmedchem.2c01265 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine