Compound Detail
CHEMBL400506
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CCCCC(=O)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)ccc32)CC1C(=O)NCc1ccc[n+]([O-])c1
Basic Information
| ChEMBL ID | CHEMBL400506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSNPBFHMXSTBQA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
626.0
MW (Da)
4.94
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of FTase | 17236767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17236767 | 10.1016/j.bmcl.2006.12.087 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine