Compound Detail
CHEMBL362186
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
CSCC[C@H](NC(=O)c1ccc(CN(C)CCC2CCCCC2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
Basic Information
| ChEMBL ID | CHEMBL362186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAPPZJLHLSFSFA-YCBFMBTMSA-M |
| Parent Compound | CHEMBL1204575 |
| Active Moiety | CHEMBL1204575 |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
6.00
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.38
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
IC50 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
| Rattus norvegicus CHEMBL376 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.87 | nM | 9.06 | In vitro inhibitory activity against Farnesyltransferase (FTase) | 10579847 |
| Rattus norvegicus | EC50 | = | 12.0 | nM | 7.92 | 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