Compound Detail
CHEMBL326745
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CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)Cc1cn(Cc2ccc([N+](=O)[O-])cc2)cn1
Basic Information
| ChEMBL ID | CHEMBL326745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPULWNYHMWGKTL-HZYWKQLSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
688.9
MW (Da)
4.89
ALogP
9
HBA
3
HBD
159.7
PSA (Ų)
0.09
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of [3H]FPP incorporation into recombinant [Leu68]-RAS1CVIM by Farnesy... | 10464022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10464022 | 10.1021/jm990080l | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine