Compound Detail
CHEMBL5571735
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Basic Information
| ChEMBL ID | CHEMBL5571735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWWHDMOYTAAZBX-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.9
MW (Da)
4.41
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.44 | 8.1325 | 3.6 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 3.61 | nM | 8.44 | Inhibition of 6-His tagged BRAF V600E mutant (445 to 723 residues) (unknown orig... | 39077892 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 5.5 | nM | 8.26 | BRAF V600E and V600K Enzyme Assay: A competitive displacement assay was configur... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 5.5 | nM | 8.26 | BRAF V600E and V600K Enzyme Assay: A competitive displacement assay was configur... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 27.0 | nM | 7.57 | Inhibition of BRAF V600E mutant in human A-375 cells assessed as reduction in ER... | 39077892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39077892 | 10.1021/acs.jmedchem.4c00998 | ADMET | 3 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Serine/threonine-protein kinase B-raf | 2 |
| 39077892 | 10.1021/acs.jmedchem.4c00998 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine