Compound Detail
CHEMBL183097
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Cn1cncc1C(OCc1ccc(Cl)c(Cl)c1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL183097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHRAFDSLBQHPNH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.4
MW (Da)
7.59
ALogP
4
HBA
0
HBD
50.8
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.76 | 8.76 | 1.7 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.7 | nM | 8.77 | Inhibition of Bovine farnesyl transferase | 15582430 |
| Unchecked | IC50 | = | 1.738 | nM | 8.76 | Inhibition of farnesyltransferase | 17448576 |
| Geranylgeranyl transferase type I | IC50 | = | 72.0 | nM | 7.14 | Inhibition of Bovine geranylgeranyl transferase | 15582430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15582430 | 10.1016/j.bmcl.2004.10.014 | Protein farnesyltransferase | 2 |
| 15582430 | 10.1016/j.bmcl.2004.10.014 | Geranylgeranyl transferase type I | 1 |
| 17448576 | 10.1016/j.ejmech.2007.02.003 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine