Compound Detail
CHEMBL3218391
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Basic Information
| ChEMBL ID | CHEMBL3218391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAJLKAVQYXFCRU-QFIPXVFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
420.5
MW (Da)
4.23
ALogP
4
HBA
4
HBD
107.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Geranylgeranyl transferase type I | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human GGTase1 in human Burkitt lymphoma (Daudi) cell supernatant u... | 25530833 |
| Protein farnesyltransferase | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of human recombinant FTase using [3H]farnesyldiphosphate | 25530833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25530833 | 10.1039/c2md20299a | Unchecked | 1 |
| 25530833 | 10.1039/c2md20299a | Geranylgeranyl transferase type I | 1 |
| 25530833 | 10.1039/c2md20299a | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine