Compound Detail
CHEMBL195843
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Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C(=O)N4CCOCC4)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL195843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCBXKMGAKYCOTP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.0
MW (Da)
4.43
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of FTase | 17236767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808463 | 10.1016/j.bmcl.2005.02.062 | Protein farnesyltransferase | 2 |
| 15808463 | 10.1016/j.bmcl.2005.02.062 | Geranylgeranyl transferase type I | 1 |
| 17236767 | 10.1016/j.bmcl.2006.12.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine