Compound Detail
CHEMBL1319809
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Basic Information
| ChEMBL ID | CHEMBL1319809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKFBULTWSMTVQI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.54
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2C9 CHEMBL3397 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.7 | 4.7 | 19952.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2C9 | EC50 | = | 251.19 | nM | 6.6 | Inhibition of CYP2C9 after 30 mins by luminescence assay | 21574568 |
| Unchecked | IC50 | = | 19952.62 | nM | 4.7 | Inhibition of HIF-1 in human deferoxamine treated HCT-116 cells expressing HRE-b... | 21574568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21574568 | 10.1021/jm200272h | Unchecked | 1 |
| 21574568 | 10.1021/jm200272h | Cytochrome P450 2C9 | 1 |
Data from ChEMBL 36 via Core Engine