Compound Detail
CHEMBL5421684
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Basic Information
| ChEMBL ID | CHEMBL5421684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FVNLPFDDZZPEHX-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
378.9
MW (Da)
3.88
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.58
Ki 1 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| YAP1-TEAD4 CHEMBL5465250 | IC50 | 5.58 | 5.17 | 2600.0 | 4 |
| TEAD2-YAP1 CHEMBL5465558 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| YAP1-TEAD4 CHEMBL5465250 | Ki | 4.42 | 4.42 | 37700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.6 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| YAP1-TEAD4 | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| TEAD2-YAP1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of TEAD2 (217 to 447 residues) (unknown origin) expressed in Escheric... | 37731696 |
| YAP1-TEAD4 | IC50 | = | 3300.0 | nM | 5.48 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| YAP1-TEAD4 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| YAP1-TEAD4 | IC50 | = | 23600.0 | nM | 4.63 | Inhibition of GST-tagged TEAD4 (217 to 434 residues) (unknown origin) expressed ... | 37731696 |
| YAP1-TEAD4 | Ki | = | 37700.0 | nM | 4.42 | 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 | 13 |
| 37731696 | 10.1039/d3md00264k | Unchecked | 3 |
| 37731696 | 10.1039/d3md00264k | TEAD2-YAP1 | 3 |
| 37731696 | 10.1039/d3md00264k | Transcriptional coactivator YAP1/Transcriptional enhancer factor TEF-1 | 2 |
| 37731696 | 10.1039/d3md00264k | TEAD3-YAP1 | 2 |
Data from ChEMBL 36 via Core Engine