Compound Detail
CHEMBL3982491
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Basic Information
| ChEMBL ID | CHEMBL3982491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLCWKPNWOMBQAA-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
518.0
MW (Da)
5.84
ALogP
8
HBA
3
HBD
109.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.15 | 7.765 | 7.0 | 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 | = | 6.0 | nM | 8.22 | Kinase Activity: The compounds prepared in Examples were tested for inhibitory a... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 7.0 | nM | 8.15 | Kinase Activity: The compounds prepared in Examples were tested for inhibitory a... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 42.0 | nM | 7.38 | Kinase Activity: The compounds prepared in Examples were tested for inhibitory a... | - |
Data from ChEMBL 36 via Core Engine