Compound Detail
CHEMBL169130
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O=C(Nc1ccc[n+]([O-])c1)N1CCN(C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL169130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJKUZCQCDLBCPJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
528.8
MW (Da)
4.17
ALogP
4
HBA
1
HBD
75.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 6.62 | 6.03 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 240.0 | nM | 6.62 | In vitro inhibition of farnesyltransferase farnesylation of the H-ras oncogene | 9526562 |
| Protein farnesyltransferase | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of Farnesyltransferase from Ras-CVLS or Ras-CVLL in Cos-7 monkey kidn... | 9526562 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9526562 | 10.1021/jm970462w | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine