Compound Detail
CHEMBL5429883
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Basic Information
| ChEMBL ID | CHEMBL5429883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGIYBKFOIUVCQB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
252.7
MW (Da)
1.71
ALogP
3
HBA
2
HBD
85.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YAP1-TEAD4 CHEMBL5465250 | IC50 | 6.05 | 5.225 | 900.0 | 2 |
| Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 CHEMBL3430909 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| TEAD2-YAP1 CHEMBL5465558 | IC50 | 3.6 | 3.6 | 254000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YAP1-TEAD4 | IC50 | = | 900.0 | nM | 6.05 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of TEAD1 (209 to 426 residues) (unknown origin) expressed in Escheric... | 37731696 |
| YAP1-TEAD4 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| TEAD2-YAP1 | IC50 | = | 254000.0 | nM | 3.6 | Inhibition of TEAD2 (217 to 447 residues) (unknown origin) expressed in Escheric... | 37731696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731696 | 10.1039/d3md00264k | YAP1-TEAD4 | 5 |
| 37731696 | 10.1039/d3md00264k | Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 | 3 |
| 37731696 | 10.1039/d3md00264k | Unchecked | 1 |
| 37731696 | 10.1039/d3md00264k | TEAD2-YAP1 | 1 |
| 37731696 | 10.1039/d3md00264k | TEAD3-YAP1 | 1 |
Data from ChEMBL 36 via Core Engine