Compound Detail
CHEMBL3753260
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
CCCS(=O)(=O)Nc1ccc(F)c(-c2cc3cnc(NC[C@H](C)NC(=O)OC)cc3cc2CC)c1F
Basic Information
| ChEMBL ID | CHEMBL3753260 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHWGGIDIMHBKTC-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
5.05
ALogP
6
HBA
3
HBD
109.4
PSA (Ų)
0.35
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A-375 CHEMBL613859 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A-375 | IC50 | = | 0.3 | nM | 9.52 | Growth inhibition of human A375 cells | 26739779 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 0.6 | nM | 9.22 | Inhibition of B-Raf V600E mutant (unknown origin) by lantha screen assay | 26739779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26739779 | 10.1016/j.bmcl.2015.12.086 | Serine/threonine-protein kinase B-raf | 1 |
| 26739779 | 10.1016/j.bmcl.2015.12.086 | A-375 | 1 |
Data from ChEMBL 36 via Core Engine