Compound Detail
CHEMBL170921
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COCC[C@H]1CN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CCN1C(=O)CC1CCNCC1
Basic Information
| ChEMBL ID | CHEMBL170921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URWJIGVDAQEIEV-ZZDYIDRTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
576.0
MW (Da)
4.62
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.16 | 7.16 | 69.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 69.0 | nM | 7.16 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine