Compound Detail
CHEMBL1272049
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Basic Information
| ChEMBL ID | CHEMBL1272049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAJCAHFPXAHWMM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.6
MW (Da)
2.14
ALogP
4
HBA
1
HBD
69.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL6044 | IC50 | 5.7 | 5.475 | 2000.0 | 2 |
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.69 | 5.47 | 2030.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by time res... | 20933419 |
| Bcl-2-related protein A1 | IC50 | = | 2030.0 | nM | 5.69 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| Bcl-2-related protein A1 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of N-terminal FITC BH3 peptide binding to GST-tagged Bfl1 by fluoresc... | 20933419 |
| Bcl-2-related protein A1 | IC50 | = | 5630.0 | nM | 5.25 | PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20933419 | 10.1016/j.bmcl.2010.09.046 | Bcl-2-related protein A1 | 2 |
Data from ChEMBL 36 via Core Engine