Compound Detail
CHEMBL164537
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CCCOc1ccncc1/C=C/c1ccc(C(=O)N[C@@H](CCSC)C(=O)O)c(-c2ccccc2C)c1
Basic Information
| ChEMBL ID | CHEMBL164537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | STZJDNIOWZMUJX-OXXZUKKGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.95
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.4 | nM | 8.85 | 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