Compound Detail
CHEMBL1351212
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Basic Information
| ChEMBL ID | CHEMBL1351212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKRWRSFYRRVPAV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
3.33
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.58 | 5.56 | 2660.0 | 2 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | IC50 | = | 2660.0 | nM | 5.58 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| Bcl-2-related protein A1 | IC50 | = | 2850.0 | nM | 5.54 | PUBCHEM_BIOASSAY: HTS discovery of chemical inhibitors of anti-apoptotic protein... | - |
| Ephrin type-A receptor 4 | IC50 | = | 4100.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
Data from ChEMBL 36 via Core Engine