Compound Detail
CHEMBL169988
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CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](N)CS)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL169988 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NIKLJFUBMPMVBM-VJANTYMQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
0.78
ALogP
7
HBA
5
HBD
141.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095197 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 250.0 | nM | 6.6 | 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