Compound Detail
CHEMBL24123
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Cn1cncc1C(O)(C#Cc1ccc(C#N)cc1-c1cccc(OC(F)(F)F)c1)c1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL24123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQRLDBGCWSEIIY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.5
MW (Da)
5.02
ALogP
6
HBA
1
HBD
94.9
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.39 | 9.39 | 0.4 | 1 |
| Geranylgeranyl transferase type-1 subunit beta CHEMBL4135 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.41 | nM | 9.39 | Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ra... | 12657267 |
| Geranylgeranyl transferase type-1 subunit beta | IC50 | = | 430.0 | nM | 6.37 | Inhibition of human GGTase-catalyzed incorporation of [3H]GGPP into biotinylated... | 12657267 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12657267 | 10.1016/s0960-894x(03)00122-7 | Protein farnesyltransferase | 2 |
| 12657267 | 10.1016/s0960-894x(03)00122-7 | Geranylgeranyl transferase type-1 subunit beta | 1 |
| 12657267 | 10.1016/s0960-894x(03)00122-7 | Protein farnesyl/geranylgeranyl transferase | 1 |
Data from ChEMBL 36 via Core Engine