Compound Detail
CHEMBL182180
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cncc1C(OCc1ccc(C#N)c(NCc2cccc(F)c2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL182180 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGQUEDHUYFPAJX-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
7.30
ALogP
7
HBA
1
HBD
99.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
EC50 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 7.8 | 7.8 | 16.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Bovine farnesyl transferase | 15582430 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of farnesyltransferase | 17448576 |
| Protein farnesyltransferase | EC50 | = | 16.0 | nM | 7.8 | Effective concentration against H-ras processing in transformed NIH3T3 cells | 15582430 |
| Geranylgeranyl transferase type I | IC50 | = | 750.0 | nM | 6.12 | Inhibition of Bovine geranylgeranyl transferase | 15582430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15582430 | 10.1016/j.bmcl.2004.10.014 | Protein farnesyltransferase | 3 |
| 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