Compound Detail
CHEMBL428001
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CSCC[C@H](NC(=O)c1ccc(COCc2ccc(-c3ccc(C(F)(F)F)cc3)o2)cc1-c1ccccc1C)C(=O)[O-].[Li+]
Basic Information
| ChEMBL ID | CHEMBL428001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTXCLHIBVVEXGH-JCOPYZAKSA-M |
| Parent Compound | CHEMBL1204588 |
| Active Moiety | CHEMBL1204588 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
597.6
MW (Da)
7.59
ALogP
5
HBA
2
HBD
88.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.92
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | EC50 | = | 1.2 | nM | 8.92 | EC50 is measured as inhibition of ras processing in a whole cell assay for farne... | 10328287 |
| Protein farnesyltransferase | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibitory activity was evaluated against farnesyltransferase (FTase) | 10328287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10328287 | 10.1016/s0960-894x(99)00144-4 | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine