Compound Detail
CHEMBL104460
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CCC(C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)O)Cc1cccc2ccccc12)NC(=O)CC1CN(Cc2ccc(C#N)cc2)C=N1
Basic Information
| ChEMBL ID | CHEMBL104460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTBDAWPIJDBOHN-ZMMUKYMYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
670.9
MW (Da)
4.67
ALogP
8
HBA
3
HBD
138.1
PSA (Ų)
0.18
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Farnesyltransferase CHEMBL2111393 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Farnesyltransferase | IC50 | = | 12.0 | nM | 7.92 | Inhibitory activity against yeast farnesyltransferase | 11543680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543680 | 10.1021/jm010873j | Farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine