Compound Detail
CHEMBL565657
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL565657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVMOMSLTZMMLJR-FMIVXFBMSA-N |
6
Targets
6
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
4.53
ALogP
3
HBA
0
HBD
16.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
EC50 2 meas. best 5.84
Ki 1 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | Ki | 8.64 | 8.64 | 2.3 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.84 | 5.84 | 1432.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.33 | 5.33 | 4647.0 | 1 |
| Tegument protein VP16 CHEMBL4218 | IC50 | 4.7 | 4.7 | 19800.0 | 1 |
| Nuclear receptor coactivator 1 CHEMBL1615387 | IC50 | 4.69 | 4.69 | 20363.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | Ki | = | 2.3 | nM | 8.64 | Binding affinity to Beta amyloid aggregates in Alzheimer's disease patient brain... | 19845387 |
| Insulin receptor | IC50 | = | 1200.0 | nM | 5.92 | Displacement of thioflavin T from insulin receptor by thioflavin-T fluorescent d... | 22285571 |
| Luciferin 4-monooxygenase | EC50 | = | 1432.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 4647.0 | nM | 5.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Tegument protein VP16 | IC50 | = | 19800.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of the Steroid Receptor Coactivat... | - |
| Nuclear receptor coactivator 1 | IC50 | = | 20363.0 | nM | 4.69 | PUBCHEM_BIOASSAY: Luminescence-based cell-based high throughput dose response as... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22285571 | 10.1016/j.bmc.2011.12.062 | Unchecked | 2 |
| 19845387 | 10.1021/jm901039z | Amyloid-beta precursor protein | 1 |
| 22285571 | 10.1016/j.bmc.2011.12.062 | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine