Compound Detail
CHEMBL378816
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O=C(O)CCCC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1C(=O)NCc1cccnc1
Basic Information
| ChEMBL ID | CHEMBL378816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GXROPRYKIVOUEO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
641.0
MW (Da)
4.16
ALogP
6
HBA
2
HBD
115.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 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 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 7.0 | nM | 8.15 | Inhibitory activity against farnesyltransferase quantified by SPA assay | 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