Compound Detail
CHEMBL3924812
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)c2cc(C(F)(F)F)ccn2)cc1-c1cc(OCC(O)CP(=O)(O)O)nc(N2CCOCC2)c1
Basic Information
| ChEMBL ID | CHEMBL3924812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KBCHTFDJOHUYOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
596.5
MW (Da)
3.48
ALogP
8
HBA
4
HBD
154.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 10.62 | 10.62 | 0.0 | 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 | = | 0.024 | nM | 10.62 | Inhibition of 1 to 324 residues truncated c-Raf (unknown origin) expressed in ba... | 27994730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27994730 | 10.1021/acsmedchemlett.6b00435 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine