Compound Detail
CHEMBL3894601
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Basic Information
| ChEMBL ID | CHEMBL3894601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBYZLOWPJLYEGX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.5
MW (Da)
5.13
ALogP
8
HBA
3
HBD
115.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 7.82 | 7.66 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 5.0 | nM | 8.3 | Kinase Activity: The compounds prepared in Examples were tested for inhibitory a... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 15.0 | nM | 7.82 | Kinase Activity: The compounds prepared in Examples were tested for inhibitory a... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 32.0 | nM | 7.5 | Kinase Activity: The compounds prepared in Examples were tested for inhibitory a... | - |
Data from ChEMBL 36 via Core Engine