Compound Detail
CHEMBL130433
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Basic Information
| ChEMBL ID | CHEMBL130433 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISAKNYLLDUELLC-RTBURBONSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
409.3
MW (Da)
5.76
ALogP
4
HBA
0
HBD
27.1
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 4.74 | 4.74 | 18300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 700.0 | nM | 6.16 | Inhibitory activity against recombinant human farnesyltransferase | 9406600 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of FTase | 17049856 |
| Geranylgeranyl transferase type I | IC50 | = | 18300.0 | nM | 4.74 | Inhibitory activity against Geranylgeranyl transferase type I | 9406600 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9406600 | 10.1021/jm970291v | Protein farnesyltransferase | 2 |
| 9406600 | 10.1021/jm970291v | Geranylgeranyl transferase type I | 1 |
| 9406600 | 10.1021/jm970291v | Protein farnesyl/geranylgeranyl transferase | 1 |
| 17049856 | 10.1016/j.bmcl.2006.09.055 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine