Compound Detail
CHEMBL179229
PYRIPYROPENE A Enter ChEMBL ID:
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CC(=O)OCC1(C)C(OC(C)=O)CCC2(C)C3C(=O)C4=C(O)OC(c5cccnc5)C=C4OC3(C)C(OC(C)=O)=CC12
Basic Information
| ChEMBL ID | CHEMBL179229 |
| Name | PYRIPYROPENE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTULVINLEZVILJ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
581.6
MW (Da)
4.16
ALogP
11
HBA
1
HBD
147.6
PSA (Ų)
0.39
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 7.16 | 6.8367 | 70.0 | 3 |
| Sterol O-acyltransferase 1 CHEMBL285 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Sterol O-acyltransferase 1 CHEMBL2782 | IC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of ACAT2 (unknown origin) expressed in CHO cells | 23369538 |
| Sterol O-acyltransferase 2 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of ACAT2 (unknown origin) | 23711919 |
| Sterol O-acyltransferase 1 | IC50 | = | 170.0 | nM | 6.77 | Inhibitory activity against rat liver microsomal Acyl coenzyme A:cholesterol acy... | 15261286 |
| Sterol O-acyltransferase 2 | IC50 | = | 640.0 | nM | 6.19 | In vitro inhibitory concentration against human Acyl coenzyme A:cholesterol acyl... | 15603959 |
| Sterol O-acyltransferase 1 | IC50 | = | 640.0 | nM | 6.19 | Inhibitory activity against human Acyl coenzyme A:cholesterol acyltransferase 2 | 15261286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15261286 | 10.1016/j.bmcl.2004.05.086 | Sterol O-acyltransferase 1 | 3 |
| 15603959 | 10.1016/j.bmcl.2004.10.066 | Sterol O-acyltransferase 2 | 1 |
| 23369538 | 10.1016/j.bmcl.2012.12.099 | Unchecked | 1 |
| 23369538 | 10.1016/j.bmcl.2012.12.099 | Sterol O-acyltransferase 2 | 1 |
| 23369538 | 10.1016/j.bmcl.2012.12.099 | Sterol O-acyltransferase 1 | 1 |
| 23711919 | 10.1016/j.bmcl.2013.04.075 | Unchecked | 1 |
| 23711919 | 10.1016/j.bmcl.2013.04.075 | Sterol O-acyltransferase 2 | 1 |
| 23711919 | 10.1016/j.bmcl.2013.04.075 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine