Compound Detail
CHEMBL1349646
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Basic Information
| ChEMBL ID | CHEMBL1349646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFAMGQKPRPMKPF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
302.8
MW (Da)
3.41
ALogP
2
HBA
0
HBD
25.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.92 | 5.92 | 1190.0 | 1 |
| YAP1-TEAD4 CHEMBL5465250 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 1190.0 | nM | 5.92 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| YAP1-TEAD4 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731696 | 10.1039/d3md00264k | YAP1-TEAD4 | 5 |
| 37731696 | 10.1039/d3md00264k | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine