Compound Detail
CHEMBL418018
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Basic Information
| ChEMBL ID | CHEMBL418018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPHPMNJCCXXCGX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.98
ALogP
5
HBA
2
HBD
87.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Geranylgeranyl transferase type-1 subunit beta CHEMBL4135 | IC50 | 7.04 | 7.04 | 92.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.7 | nM | 9.15 | Inhibition of human FTase-catalyzed incorporation of [3H]FPP into recombinant Ra... | 12657267 |
| Geranylgeranyl transferase type-1 subunit beta | IC50 | = | 92.0 | nM | 7.04 | 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