Compound Detail
CHEMBL325995
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Cc1ncc(CN(Cc2ccc(C#N)cc2)c2ccc(S(=O)(=O)c3ccccc3)cc2)n1Cc1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL325995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKHCIHSDGLSQJC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
6.02
ALogP
7
HBA
0
HBD
102.8
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 81.0 | nM | 7.09 | Inhibition of bovine Farnesyltransferase in vitro. | 10612589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10612589 | 10.1016/s0960-894x(99)00605-8 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine