Compound Detail
CHEMBL29503
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Cn1cncc1CN(Cc1ccc(C#N)c(Br)c1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1
Basic Information
| ChEMBL ID | CHEMBL29503 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCKIUXVZLPDAPE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
565.5
MW (Da)
6.01
ALogP
5
HBA
0
HBD
89.0
PSA (Ų)
0.30
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3.1 | nM | 8.51 | In vitro inhibition of farnesyltransferase | 12657283 |
| Geranylgeranyl transferase type I | IC50 | = | 1400.0 | nM | 5.85 | 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