Compound Detail
CHEMBL1414442
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Basic Information
| ChEMBL ID | CHEMBL1414442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJTLWZPUGZBFLA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
361.6
MW (Da)
2.65
ALogP
4
HBA
0
HBD
49.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-related protein A1 CHEMBL1293239 | IC50 | 5.82 | 5.605 | 1520.0 | 2 |
| DNA repair protein RAD51 homolog 1 CHEMBL2034807 | IC50 | 4.83 | 4.83 | 14880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-related protein A1 | IC50 | = | 1520.0 | nM | 5.82 | PUBCHEM_BIOASSAY: TR-FRET secondary assay for HTS discovery of chemical inhibito... | - |
| Bcl-2-related protein A1 | IC50 | = | 4050.0 | nM | 5.39 | PUBCHEM_BIOASSAY: In Vitro Bfl-1 Dose Response Fluorescence Polarization Assay f... | - |
| DNA repair protein RAD51 homolog 1 | IC50 | = | 14880.0 | nM | 4.83 | Inhibition of human RAD51 binding to single stranded DNA by fluorescence polariz... | 23231413 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23231413 | 10.1021/jm301565b | HEK293 | 2 |
| 23231413 | 10.1021/jm301565b | DNA repair protein RAD51 homolog 1 | 1 |
Data from ChEMBL 36 via Core Engine