Compound Detail
CHEMBL504791
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Basic Information
| ChEMBL ID | CHEMBL504791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMPJRGAFFRSXRX-MHWRWJLKSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.93
ALogP
4
HBA
1
HBD
32.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.05
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Collagenase 3 CHEMBL280 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Runt-related transcription factor 1/Core-binding factor subunit beta CHEMBL2093862 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 5.05 | 5.05 | 8811.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 4.92 | 4.92 | 11970.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 CHEMBL2095161 | EC50 | 4.14 | 4.14 | 73040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18358729 | 10.1016/j.bmc.2008.03.004 | Collagenase 3 | 1 |
Data from ChEMBL 36 via Core Engine