Compound Detail
CHEMBL163559
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CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C2(O)CCCCC2)cc1-c1ccccc1C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL163559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCCXFDJNOPAWDJ-CRAHCDMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
6.32
ALogP
5
HBA
3
HBD
99.5
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.81 | nM | 9.09 | Inhibitory activity against farnesyltransferase (FT) using SPA assay | 10201832 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10201832 | 10.1016/s0960-894x(99)00080-3 | Protein farnesyltransferase | 1 |
| 10201832 | 10.1016/s0960-894x(99)00080-3 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine