Compound Detail
CHEMBL66462
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O=C(Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ncc(Br)cc3CCc3cc(Cl)cc(Br)c32)CC1
Basic Information
| ChEMBL ID | CHEMBL66462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNTPLRZYABBXGF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
603.7
MW (Da)
5.66
ALogP
3
HBA
0
HBD
60.1
PSA (Ų)
0.28
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Kd 1 meas. best 8.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| No relevant target CHEMBL2362975 | Kd | 8.29 | 8.29 | 5.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 3.9 | nM | 8.41 | Inhibition of Farnesyl protein transferase | 10377218 |
| No relevant target | Kd | = | 5.1 | nM | 8.29 | Dissociation constant of the Compound | 10377218 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10377218 | 10.1021/jm990030g | Protein farnesyltransferase | 1 |
| 10377218 | 10.1021/jm990030g | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine