Compound Detail
CHEMBL352022
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N#CN/C(=N/Cc1cc[n+]([O-])cc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL352022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIGXNNUVDWTCGJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.9
MW (Da)
4.75
ALogP
4
HBA
1
HBD
91.2
PSA (Ų)
0.12
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 6.0 | nM | 8.22 | FPT inhibitory activity was determined by the ability to inhibit the transfer of... | 11844681 |
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | Inhibition of farnesyltransferase (unknown origin) using [3H] farnesyl pyrophosp... | 30114660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844681 | 10.1016/s0960-894x(01)00826-5 | Protein farnesyltransferase | 1 |
| 30114660 | 10.1016/j.ejmech.2018.08.017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine