Compound Detail
CHEMBL308283
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CSCC[C@H](NC(=O)C1(NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)Cc2ccccc2C1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL308283 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | REZJOXXWQFILST-BZSNNMDCSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
510.7
MW (Da)
0.36
ALogP
7
HBA
6
HBD
150.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 2900.0 | nM | 5.54 | In vitro inhibitory activity against Farnesyltransferase | 8568812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568812 | 10.1021/jm950642a | Protein farnesyltransferase | 1 |
| 27690430 | 10.1021/acs.jmedchem.6b01029 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine