Compound Detail
CHEMBL311434
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N#CN/C(=N\Cc1ccc[n+]([O-])c1)N1CCC(=C2c3ccc(Cl)cc3SCc3cccnc32)CC1
Basic Information
| ChEMBL ID | CHEMBL311434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HASNIZLQJKWUHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
503.0
MW (Da)
4.50
ALogP
5
HBA
1
HBD
91.2
PSA (Ų)
0.14
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 38.0 | nM | 7.42 | In vitro FPT potency by measuring the ability to inhibit the transfer of [3H]far... | 9873573 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873573 | 10.1016/s0960-894x(98)00439-9 | Protein farnesyltransferase | 2 |
Data from ChEMBL 36 via Core Engine