Compound Detail
CHEMBL318268
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COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCC(=C3c4ccc(Cl)cc4CCc4cccnc43)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL318268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJWXYAGZUMWECG-SSEXGKCCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
634.2
MW (Da)
7.09
ALogP
6
HBA
1
HBD
80.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3050.0 | nM | 5.52 | Inhibitory activity against protein farnesyltransferase. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00558-6 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine