Compound Detail
CHEMBL183902
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Cn1cncc1C(OCc1ccc(C#N)c(N2CCC(O)C2)n1)c1ccc(C#N)c(-c2ccccc2C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL183902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLEXPFRKZBZIKK-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
5.12
ALogP
8
HBA
1
HBD
111.0
PSA (Ų)
0.34
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.46
EC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.45 | 8.45 | 3.5 | 1 |
| Protein farnesyltransferase CHEMBL2096912 | EC50 | 6.92 | 6.92 | 120.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3.5 | nM | 8.46 | Inhibition of Bovine farnesyl transferase | 15582430 |
| Unchecked | IC50 | = | 3.548 | nM | 8.45 | Inhibition of farnesyltransferase | 17448576 |
| Protein farnesyltransferase | EC50 | = | 120.0 | nM | 6.92 | Effective concentration against H-ras processing in transformed NIH3T3 cells | 15582430 |
| Geranylgeranyl transferase type I | IC50 | = | 970.0 | nM | 6.01 | 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