Compound Detail
CHEMBL1254699
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Basic Information
| ChEMBL ID | CHEMBL1254699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTVJXASLRCAIHH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
4.79
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome c oxidase subunit 2 CHEMBL1250404 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Cytochrome c oxidase subunit 1 CHEMBL6011 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome c oxidase subunit 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of sheep COX2 | 20650641 |
| Cytochrome c oxidase subunit 1 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of sheep COX1 | 20650641 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20650641 | 10.1016/j.bmc.2010.06.094 | Cytochrome c oxidase subunit 1 | 1 |
| 20650641 | 10.1016/j.bmc.2010.06.094 | Cytochrome c oxidase subunit 2 | 1 |
| 20650641 | 10.1016/j.bmc.2010.06.094 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine