Compound Detail
CHEMBL3924576
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
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc2[nH]cnc2c(N2CCOCC2)n1
Basic Information
| ChEMBL ID | CHEMBL3924576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIPHDDWBTBYNTO-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.5
MW (Da)
5.04
ALogP
5
HBA
2
HBD
83.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 9.77 | 9.77 | 0.2 | 2 |
| Unchecked CHEMBL612545 | IC50 | 9.77 | 9.37 | 0.2 | 2 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.97 | 8.97 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 0.171 | nM | 9.77 | In Vitro Enzyme Assay: Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM bi... | - |
| Unchecked | IC50 | = | 0.171 | nM | 9.77 | In Vitro Enzyme Assay: Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM bi... | - |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 0.171 | nM | 9.77 | In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ... | - |
| Serine/threonine-protein kinase B-raf | IC50 | = | 1.067 | nM | 8.97 | In Vitro Enzyme Assay: Final assay conditions were 4 pM cRaf, 3 uM ATP, 10 nM bi... | - |
| Unchecked | IC50 | = | 1.07 | nM | 8.97 | In Vitro Activity Assay: C-Raf TR refers to a truncated C-Raf protein, a Δ1-324 ... | - |
Data from ChEMBL 36 via Core Engine