Compound Detail
CHEMBL165327
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O=C(Nc1ccc(Oc2ccnc(C(=O)NCCN3CCOCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL165327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUTBEBGXOWIDJI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
564.0
MW (Da)
5.25
ALogP
6
HBA
3
HBD
104.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 7.14 | 7.14 | 73.0 | 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 | = | 73.0 | nM | 7.14 | Inhibitory activity against human Raf-1 kinase | 14741289 |
| RAF proto-oncogene serine/threonine-protein kinase | IC50 | = | 73.0 | nM | 7.14 | Inhibition of Raf-1 | 18947905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741289 | 10.1016/j.bmcl.2003.11.041 | No relevant target | 2 |
| 14741289 | 10.1016/j.bmcl.2003.11.041 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
| 18947905 | 10.1016/j.ejmech.2008.09.016 | RAF proto-oncogene serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine