Compound Detail
CHEMBL3335380
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Basic Information
| ChEMBL ID | CHEMBL3335380 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSAGFLYKPJTEDK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
5.48
ALogP
6
HBA
2
HBD
81.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.3
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase B-raf | IC50 | = | 4.0 | nM | 8.4 | Inhibition of BRAF V600E mutant (unknown origin) | 25221654 |
| Serine/threonine-protein kinase B-raf | EC50 | = | 50.0 | nM | 7.3 | Inhibition of BRAF (unknown origin)-mediated ERK phosphorylation by cell-based a... | 25221654 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25221654 | 10.1021/ml5002272 | Serine/threonine-protein kinase B-raf | 2 |
| 25221654 | 10.1021/ml5002272 | Plasma | 1 |
Data from ChEMBL 36 via Core Engine