Compound Detail
CHEMBL169799
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CN[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCSC)C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL169799 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | VVHALEBVTPLGHL-VJANTYMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
0.70
ALogP
7
HBA
6
HBD
136.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 420.0 | nM | 6.38 | In vitro inhibitory concentration evaluated against P21ras Farnesyl transferase | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80257-2 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine