Compound Detail
CHEMBL156523
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Cn1cncc1C(OCc1ccc(C#N)cc1-c1ccc2c(c1)OC(F)(F)O2)c1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL156523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INLXREGCVOSWPR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
4
PK Parameters
5
Publications
0
Known Names
Molecular Properties
484.5
MW (Da)
5.46
ALogP
7
HBA
0
HBD
93.1
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.96
EC50 1 meas. best 8.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 8.04 | 8.04 | 9.1 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.95 | 5.95 | 1122.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 2760.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 5.167 | mL.min-1.kg-1 | Canis lupus familiaris |
| F | 82.0 | % | Canis lupus familiaris |
| T1/2 | 1.3 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.1 | nM | 8.96 | Inhibition of FTase | 17236767 |
| Protein farnesyltransferase | EC50 | = | 9.1 | nM | 8.04 | Effective concentration required for inhibition of farnesylation of Ras protein ... | 14736242 |
| Protein farnesyltransferase | IC50 | = | 1122.02 | nM | 5.95 | Inhibition of FTase | 16455255 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14736242 | 10.1021/jm030434f | Canis familiaris | 4 |
| 14736242 | 10.1021/jm030434f | Protein farnesyltransferase | 2 |
| 14736242 | 10.1021/jm030434f | Geranylgeranyl transferase type I | 1 |
| 16455255 | 10.1016/j.bmcl.2006.01.019 | Protein farnesyltransferase | 1 |
| 17236767 | 10.1016/j.bmcl.2006.12.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine