Compound Detail
CHEMBL311507
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COCC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](NC[C@@H](N)CS)C(C)(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL311507 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FZJOMPQKENNHGD-YSTOQKLRSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.7
MW (Da)
0.81
ALogP
7
HBA
5
HBD
134.0
PSA (Ų)
0.29
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.85
EC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| NIH3T3 CHEMBL614822 | EC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 1.4 | nM | 8.85 | In vitro inhibitory activity against Farnesyltransferase | 8568812 |
| Geranylgeranyl transferase type I | IC50 | = | 22.0 | nM | 7.66 | In vitro inhibition of Geranylgeranyl transferase type I | 8568812 |
| NIH3T3 | EC50 | = | 2600.0 | nM | 5.58 | EC50 in soft agar growth assay | 8568812 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568812 | 10.1021/jm950642a | Protein farnesyltransferase | 1 |
| 8568812 | 10.1021/jm950642a | Geranylgeranyl transferase type I | 1 |
| 8568812 | 10.1021/jm950642a | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine