Compound Detail
CHEMBL1587670
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Basic Information
| ChEMBL ID | CHEMBL1587670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGIAETWKSXMAPI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
3.85
ALogP
6
HBA
3
HBD
110.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Major prion protein CHEMBL4869 | IC50 | 6.12 | 6.12 | 759.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
| H9c2 CHEMBL614576 | IC50 | 4.83 | 4.83 | 14955.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Major prion protein | IC50 | = | 759.13 | nM | 6.12 | PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to... | - |
| Unchecked | IC50 | = | 11300.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| H9c2 | IC50 | = | 14955.0 | nM | 4.83 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine