Compound Detail
CHEMBL137087
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Cn1cncc1C(C)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
Basic Information
| ChEMBL ID | CHEMBL137087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOAQWAKHGOYQKE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.4
MW (Da)
6.60
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| NIH3T3 CHEMBL614822 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [3H]FPP incorporation into biotinylated lamin B peptide by farnesy... | 14643326 |
| NIH3T3 | IC50 | = | 58.0 | nM | 7.24 | In vitro inhibition of NIH3T3 cell proliferation | 14643326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643326 | 10.1016/j.bmcl.2003.09.043 | Protein farnesyltransferase | 1 |
| 14643326 | 10.1016/j.bmcl.2003.09.043 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine