Compound Detail
CHEMBL328773
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CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL328773 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | HQQOMOWVWPBVRR-FYQPLNBISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.7
MW (Da)
1.13
ALogP
7
HBA
5
HBD
124.8
PSA (Ų)
0.27
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 0.6 | nM | 9.22 | Inhibition of Farnesyltransferase | 10698452 |
| Unchecked | IC50 | = | 0.6 | nM | 9.22 | Inhibition of farnesyltransferase (unknown origin) | 27690430 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10698452 | 10.1016/s0960-894x(99)00686-1 | Protein farnesyltransferase | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine