Compound Detail
CHEMBL423158
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Cc1cccc(NS(=O)(=O)c2cccc(NC(=O)CCNC(=O)/C=C/c3ccc(-c4ccccc4)cc3)c2)c1C
Basic Information
| ChEMBL ID | CHEMBL423158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMWCULCOCZVXGF-KNTRCKAVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
5.93
ALogP
4
HBA
3
HBD
104.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| CAAX prenyl protease 2 CHEMBL3411 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3400.0 | nM | 5.47 | Inhibitory activity against Farnesyltransferase | 11212127 |
| CAAX prenyl protease 2 | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of recombinant prenyl protein-specific protease Rce1 expressed in Sf9... | 11212127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212127 | 10.1016/s0960-894x(00)00685-5 | CAAX prenyl protease 2 | 1 |
| 11212127 | 10.1016/s0960-894x(00)00685-5 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine