Compound Detail
CHEMBL54969
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Basic Information
| ChEMBL ID | CHEMBL54969 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAQAZCQBLRUMRU-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
4.52
ALogP
6
HBA
1
HBD
83.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.91 | 5.91 | 1220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 7.0 | nM | 8.15 | In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed i... | 11459639 |
| Geranylgeranyl transferase type I | IC50 | = | 1220.0 | nM | 5.91 | In vitro inhibitory activity to reduce the human geranylgeranyl transferase type... | 11459639 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Protein farnesyltransferase | 2 |
| 11459639 | 10.1016/s0960-894x(01)00340-7 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine