Compound Detail
CHEMBL194041
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Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(N)c3cncn3Cc3ccc(C#N)cc3)ccc21
Basic Information
| ChEMBL ID | CHEMBL194041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCTQLMMESGUDDR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
480.0
MW (Da)
5.02
ALogP
6
HBA
1
HBD
89.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3.8 | nM | 8.42 | Inhibition of bovine farnesyltransferase | 15808463 |
| Unchecked | IC50 | = | 3.802 | nM | 8.42 | Inhibition of FTase | 19515462 |
| Geranylgeranyl transferase type I | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of bovine geranylgeranyl transferase | 15808463 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808463 | 10.1016/j.bmcl.2005.02.062 | Protein farnesyltransferase | 2 |
| 15808463 | 10.1016/j.bmcl.2005.02.062 | Geranylgeranyl transferase type I | 1 |
| 19515462 | 10.1016/j.ejmech.2009.04.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine