Compound Detail
CHEMBL364067
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Cn1cncc1C(OCc1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C)c1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL364067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIYOLZSOKZLXNI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
495.0
MW (Da)
5.77
ALogP
6
HBA
0
HBD
72.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 80.0 | nM | 7.1 | Inhibition of bovine farnesyltransferase | 15808463 |
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 |
Data from ChEMBL 36 via Core Engine