Compound Detail
CHEMBL29946
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Cn1cncc1C[C@H](NCc1ccc(C#N)cc1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1
Basic Information
| ChEMBL ID | CHEMBL29946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADDOXKIOPBTSEG-PMERELPUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.6
MW (Da)
4.36
ALogP
6
HBA
1
HBD
97.7
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 130.0 | nM | 6.89 | In vitro inhibitory activity against farnesyl transferase | 12657282 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657282 | 10.1016/s0960-894x(03)00095-7 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine