Compound Detail
CHEMBL129589
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Basic Information
| ChEMBL ID | CHEMBL129589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBVDGGZJTGDHST-IIZJFRANSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
337.5
MW (Da)
2.18
ALogP
4
HBA
4
HBD
67.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 30.0 | nM | 7.52 | Inhibition of bovine Geranylgeranyl transferase type I | 7562930 |
| Protein farnesyltransferase | IC50 | = | 120.0 | nM | 6.92 | In vitro concentration required to reduce Farnesyltransferase catalyzed incorpor... | 7562930 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7562930 | 10.1021/jm00020a010 | Protein farnesyltransferase | 1 |
| 7562930 | 10.1021/jm00020a010 | NIH3T3 | 1 |
| 7562930 | 10.1021/jm00020a010 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine