Compound Detail
CHEMBL201693
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(NCc1cccnc1)C1CN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CCC1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL201693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZAROMHMWKRDFK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
665.1
MW (Da)
6.27
ALogP
5
HBA
1
HBD
78.4
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.7 | 7.56 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 20.0 | nM | 7.7 | Inhibitory activity against farnesyltransferase quantified by SPA assay | 16289818 |
| Protein farnesyltransferase | IC50 | = | 38.0 | nM | 7.42 | Inhibitory activity against Ha-Ras processing in COS7 cells | 16289818 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16289818 | 10.1016/j.bmcl.2005.10.070 | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine