Compound Detail
CHEMBL5887076
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COCCOc1cc2ncnc(Oc3ccc(NC(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)c2c2c1OCCO2
Basic Information
| ChEMBL ID | CHEMBL5887076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVQYCJGRQUEAKX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
608.9
MW (Da)
6.67
ALogP
8
HBA
2
HBD
113.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAF proto-oncogene serine/threonine-protein kinase CHEMBL1906 | IC50 | 6.56 | 6.56 | 275.0 | 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 | = | 275.0 | nM | 6.56 | Test of Small Molecule Compounds for Inhibiting the Activity of C-RAF and B-RAF ... | - |
Data from ChEMBL 36 via Core Engine