Compound Detail
CHEMBL1987060
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Basic Information
| ChEMBL ID | CHEMBL1987060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQNZDYYTLMIZCT-GFGVWQOPSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
1.96
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.15
IC50 3 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.15 | 6.81 | 71.0 | 4 |
| Unchecked CHEMBL612545 | IC50 | 6.45 | 6.365 | 353.3 | 2 |
| Major prion protein CHEMBL4869 | IC50 | 5.46 | 5.46 | 3427.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 71.0 | nM | 7.15 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 78.0 | nM | 7.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 78.0 | nM | 7.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | IC50 | = | 353.29 | nM | 6.45 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Unchecked | IC50 | = | 530.0 | nM | 6.28 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of B-c... | - |
| Unchecked | EC50 | = | 1340.0 | nM | 5.87 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Major prion protein | IC50 | = | 3427.0 | nM | 5.46 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
Data from ChEMBL 36 via Core Engine