Compound Detail
CHEMBL342315
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CSCC[C@H](NC(=O)c1ccc(CN[C@H](CSc2ccccc2C)CC2CCCCC2)cc1-c1ccccc1C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL342315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAHNIEFVTGQWBR-ZQAZVOLISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
8.13
ALogP
5
HBA
3
HBD
78.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 9.38 | 9.38 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.42 | nM | 9.38 | In vitro inhibitory activity against Farnesyltransferase (FTase) | 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