Compound Detail
CHEMBL175628
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CSCC[C@H](NC(=O)c1ccc(CNCCC2CCCCC2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
Basic Information
| ChEMBL ID | CHEMBL175628 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRWUEZFFUCCZTI-SNYZSRNZSA-M |
| Parent Compound | CHEMBL1204526 |
| Active Moiety | CHEMBL1204526 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.7
MW (Da)
5.66
ALogP
4
HBA
3
HBD
78.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.7
IC50 1 meas. best 9.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 9.77 | 9.77 | 0.2 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.17 | nM | 9.77 | In vitro inhibitory activity against Farnesyltransferase (FTase) | 10579847 |
| Rattus norvegicus | EC50 | = | 200.0 | nM | 6.7 | Inhibitory activity against whole cell Ras prenylation | 10579847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10579847 | 10.1021/jm990335v | Protein farnesyltransferase | 1 |
| 10579847 | 10.1021/jm990335v | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine