Compound Detail
CHEMBL5591160
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Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL5591160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOJZLOWHTHZMBO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.5
MW (Da)
5.35
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.39
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
| Serine/threonine-protein kinase B-raf CHEMBL5145 | IC50 | 8.23 | 8.23 | 5.9 | 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 | = | 3.55 | nM | 8.45 | Inhibition of RAF1 Y340D (unknown origin) | 38954961 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 5.9 | nM | 8.23 | Inhibition of wild-type B-RAF (unknown origin) | 38954961 |
| Serine/threonine-protein kinase B-raf | IC50 | = | 5.89 | nM | 8.23 | Inhibition of B-RAF V600E mutant (unknown origin) | 38954961 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38954961 | 10.1016/j.ejmech.2024.116631 | Serine/threonine-protein kinase B-raf | 2 |
| 38954961 | 10.1016/j.ejmech.2024.116631 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine