Compound Detail
CHEMBL1565691
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Basic Information
| ChEMBL ID | CHEMBL1565691 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUXBUVMJJWDAEU-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
2.98
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.66 | 6.4067 | 218.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 218.0 | nM | 6.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 460.0 | nM | 6.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 608.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26278027 | 10.1016/j.bmc.2015.07.073 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine