Compound Detail
CHEMBL3218388
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N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@@H](Cc1ccccc1)CN2Cc1ncc[nH]1
Basic Information
| ChEMBL ID | CHEMBL3218388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLUZMRATNLVQMT-QFIPXVFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
4.17
ALogP
6
HBA
1
HBD
93.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.87 | 8.87 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.35 | nM | 8.87 | Inhibition of human recombinant FTase using [3H]farnesyldiphosphate | 25530833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25530833 | 10.1039/c2md20299a | Geranylgeranyl transferase type I | 1 |
| 25530833 | 10.1039/c2md20299a | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine