Compound Detail
CHEMBL3946003
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 | CHEMBL3946003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXSOMFNCTBYYMX-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
485.5
MW (Da)
4.99
ALogP
6
HBA
2
HBD
79.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.7 | 9.6833 | 0.2 | 3 |
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 9.67 | 9.67 | 0.2 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 9.23 | 9.2267 | 0.6 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.2 | nM | 9.7 | Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f... | - |
| Unchecked | IC50 | = | 0.21 | nM | 9.68 | Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f... | - |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 0.214 | nM | 9.67 | In Vitro Enzyme Assay: Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM bi... | - |
| Unchecked | IC50 | = | 0.214 | nM | 9.67 | In Vitro Enzyme Assay: Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM bi... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.585 | nM | 9.23 | In Vitro Enzyme Assay: Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM bi... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.59 | nM | 9.23 | Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.6 | nM | 9.22 | Raf Activity Assay: Raf and biotinylated Mek, kinase dead, were combined at 2x f... | - |
Data from ChEMBL 36 via Core Engine