Compound Detail
CHEMBL5428328
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Basic Information
| ChEMBL ID | CHEMBL5428328 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJKSKCQYZODZCW-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
280.8
MW (Da)
2.10
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Ki 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YAP1-TEAD4 CHEMBL5465250 | IC50 | 5.33 | 4.7967 | 4700.0 | 3 |
| YAP1-TEAD4 CHEMBL5465250 | Ki | 4.03 | 4.03 | 94000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YAP1-TEAD4 | IC50 | = | 4700.0 | nM | 5.33 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| YAP1-TEAD4 | IC50 | = | 22800.0 | nM | 4.64 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| YAP1-TEAD4 | IC50 | = | 38100.0 | nM | 4.42 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| YAP1-TEAD4 | Ki | = | 94000.0 | nM | 4.03 | Covalent inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) e... | 37731696 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731696 | 10.1039/d3md00264k | YAP1-TEAD4 | 12 |
| 37731696 | 10.1039/d3md00264k | Unchecked | 2 |
| 37731696 | 10.1039/d3md00264k | Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 | 2 |
| 37731696 | 10.1039/d3md00264k | TEAD2-YAP1 | 1 |
| 37731696 | 10.1039/d3md00264k | TEAD3-YAP1 | 1 |
Data from ChEMBL 36 via Core Engine