Compound Detail
CHEMBL282166
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COC1=C(C#N)CCN(C(=O)Cc2cncn2Cc2ccc(C#N)c(-c3cccc4ccccc34)c2)C1
Basic Information
| ChEMBL ID | CHEMBL282166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAUDEXJEXLGXTN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
4.82
ALogP
6
HBA
0
HBD
94.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.4 | nM | 8.85 | In vitro inhibition of farnesyltransferase | 12657283 |
| Geranylgeranyl transferase type I | IC50 | = | 2700.0 | nM | 5.57 | In vitro inhibition of geranylgeranyltransferase-1 | 12657283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Protein farnesyltransferase | 2 |
| 12657283 | 10.1016/s0960-894x(03)00094-5 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine