Compound Detail
CHEMBL4588013
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Basic Information
| ChEMBL ID | CHEMBL4588013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFHBMXNGFVEUCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
4.33
ALogP
4
HBA
3
HBD
99.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human GST-tagged BRAF V600E mutant (416 to 766 residues) using hum... | 30529543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30529543 | 10.1016/j.ejmech.2018.11.033 | Serine/threonine-protein kinase B-raf | 1 |
| 30529543 | 10.1016/j.ejmech.2018.11.033 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine