Compound Detail
CHEMBL2407813
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Basic Information
| ChEMBL ID | CHEMBL2407813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBWLMSCMBRTDMA-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
0.42
ALogP
3
HBA
3
HBD
74.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Myoglobin CHEMBL2406892 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Myoglobin | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of myoglobin (unknown origin)-mediated arachidonic acid oxidation usi... | 24482730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24482730 | 10.1021/ml4000904 | Liver microsomes | 2 |
| 24482730 | 10.1021/ml4000904 | Myoglobin | 1 |
| 24482730 | 10.1021/ml4000904 | Prostaglandin G/H synthase 1 | 1 |
| 24482730 | 10.1021/ml4000904 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine