Compound Detail
CHEMBL26511
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CCCCC(=O)c1ccc(C#CC(O)(c2ccc(C#N)cc2)c2cncn2C)c(-c2cccc(OC)c2)c1
Basic Information
| ChEMBL ID | CHEMBL26511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMIGNVNXSVGBEL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
5.63
ALogP
6
HBA
1
HBD
88.1
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ra... | 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