Compound Detail
CHEMBL1612809
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Basic Information
| ChEMBL ID | CHEMBL1612809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPRUTASSYAGEDI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
2.67
ALogP
3
HBA
1
HBD
48.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.17
IC50 1 meas. best 5.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
| Nuclear receptor coactivator 3 CHEMBL1615382 | IC50 | 5.86 | 5.86 | 1378.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 680.0 | nM | 6.17 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Nuclear receptor coactivator 3 | IC50 | = | 1378.0 | nM | 5.86 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine