Compound Detail
CHEMBL4483707
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Basic Information
| ChEMBL ID | CHEMBL4483707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFFMAJGHURTMLL-JTQLQIEISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.44
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome c oxidase subunit 1 CHEMBL6011 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
| Cytochrome c oxidase subunit 2 CHEMBL6174 | IC50 | 4.18 | 4.18 | 66100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome c oxidase subunit 1 | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of ovine COX1 assessed as reduction in prostaglandin E2 production in... | 31125226 |
| Cytochrome c oxidase subunit 2 | IC50 | = | 66100.0 | nM | 4.18 | Inhibition of COX2 (unknown origin) assessed as reduction in prostaglandin E2 pr... | 31125226 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31125226 | 10.1021/acs.jnatprod.8b00318 | Cytochrome c oxidase subunit 1 | 2 |
| 31125226 | 10.1021/acs.jnatprod.8b00318 | Cytochrome c oxidase subunit 2 | 2 |
| 31125226 | 10.1021/acs.jnatprod.8b00318 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine