Compound Detail
CHEMBL78855
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CSCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL78855 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PCFMKLVXKKAJSV-FJIDUMEYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.7
MW (Da)
0.43
ALogP
7
HBA
6
HBD
150.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.43 | 7.43 | 37.0 | 1 |
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 5.09 | 5.09 | 8100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 37.0 | nM | 7.43 | In vitro inhibitory activity against Farnesyltransferase | 8568812 |
| Protein farnesyltransferase | IC50 | = | 5200.0 | nM | 5.28 | In vitro inhibitory concentration evaluated against P21ras Farnesyl transferase | - |
| Geranylgeranyl transferase type I | IC50 | = | 8100.0 | nM | 5.09 | In vitro inhibition of Geranylgeranyl transferase type I | 8568812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80257-2 | Protein farnesyltransferase | 1 |
| 8568812 | 10.1021/jm950642a | Protein farnesyltransferase | 1 |
| 8568812 | 10.1021/jm950642a | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine