Compound Detail
CHEMBL1784698
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Basic Information
| ChEMBL ID | CHEMBL1784698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWOBNFLQJMXKNX-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.29
ALogP
6
HBA
1
HBD
90.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.4
IC50 1 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.5 | 5.5 | 3162.3 | 1 |
| Cytochrome P450 2C9 CHEMBL3397 | EC50 | 4.4 | 4.4 | 39810.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3162.28 | nM | 5.5 | Inhibition of HIF-1 in human deferoxamine treated HCT-116 cells expressing HRE-b... | 21574568 |
| Cytochrome P450 2C9 | EC50 | = | 39810.72 | nM | 4.4 | Inhibition of CYP2C9 after 30 mins by luminescence assay | 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