Compound Detail
CHEMBL5583891
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5583891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMBNARITVGVQPJ-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
456.9
MW (Da)
4.07
ALogP
6
HBA
2
HBD
93.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 9.47 | 8.91 | 0.3 | 6 |
| Unchecked CHEMBL612545 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.34 | nM | 9.47 | Inhibition of B-RAF V600E (unknown origin) | 38954961 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 1.3 | nM | 8.89 | Inhibition of B-RAF V600E mutant (unknown origin) | 38954961 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 1.3 | nM | 8.89 | BRAF V600E and V600K Enzyme Assay: A competitive displacement assay was configur... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 1.3 | nM | 8.89 | BRAF V600E and V600K Enzyme Assay: A competitive displacement assay was configur... | - |
| Unchecked | IC50 | = | 2.2 | nM | 8.66 | Inhibition of B-RAF V600K mutant (unknown origin) | 38954961 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 2.2 | nM | 8.66 | BRAF V600E and V600K Enzyme Assay: A competitive displacement assay was configur... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 2.2 | nM | 8.66 | BRAF V600E and V600K Enzyme Assay: A competitive displacement assay was configur... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38954961 | 10.1016/j.ejmech.2024.116631 | Serine/threonine-protein kinase B-raf | 2 |
| 38954961 | 10.1016/j.ejmech.2024.116631 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine