Compound Detail
CHEMBL368904
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(N2CCC[C@@H]2CO)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL368904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPFBNFPGALIGPP-OEXUWWALSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
572.6
MW (Da)
5.51
ALogP
8
HBA
1
HBD
111.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.69 | 8.69 | 2.0 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2.0 | nM | 8.7 | Inhibition of Bovine farnesyl transferase | 15582430 |
| Unchecked | IC50 | = | 2.042 | nM | 8.69 | Inhibition of farnesyltransferase | 17448576 |
| Protein farnesyltransferase | EC50 | = | 170.0 | nM | 6.77 | Effective concentration against H-ras processing in transformed NIH3T3 cells | 15582430 |
| Geranylgeranyl transferase type I | IC50 | = | 920.0 | nM | 6.04 | 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