Compound Detail
CHEMBL5563407
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Basic Information
| ChEMBL ID | CHEMBL5563407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPUSRNCIDQKKFZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
436.9
MW (Da)
3.68
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 6.85 | 6.725 | 141.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 141.0 | nM | 6.85 | Inhibition of BRAF V600E mutant in human A-375 cells assessed as reduction in ER... | 39077892 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 250.0 | nM | 6.6 | Inhibition of 6-His tagged BRAF V600E mutant (445 to 723 residues) (unknown orig... | 39077892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Serine/threonine-protein kinase B-raf | 2 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Unchecked | 2 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine