Compound Detail
CHEMBL383050
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COC(=O)[C@H](CCSC)NC(=O)CN1C(=O)N(Cc2c[nH]cn2)C(=O)C1(C)c1cccc2ccccc12
Basic Information
| ChEMBL ID | CHEMBL383050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWXXUPJTADKUCU-GVNKFJBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.6
MW (Da)
2.65
ALogP
7
HBA
2
HBD
124.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of farnesyl transferase | 16442288 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16442288 | 10.1016/j.bmcl.2005.12.074 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine