Compound Detail
CHEMBL128018
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Cn1cncc1C(OCc1c(-c2ccc(OC(F)(F)F)cc2)cc(C#N)c(=O)n1C)c1ccc(C#N)c(-c2ccccc2Cl)c1
Basic Information
| ChEMBL ID | CHEMBL128018 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAUBGERWKXAZHI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
630.0
MW (Da)
7.05
ALogP
8
HBA
0
HBD
105.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Geranylgeranyl transferase type I CHEMBL2095164 | IC50 | 6.96 | 6.96 | 110.0 | 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 | In vitro inhibitory activity against farnesyltransferase (FT) | 14592494 |
| Geranylgeranyl transferase type I | IC50 | = | 110.0 | nM | 6.96 | In vitro inhibitory activity against Geranylgeranyl transferase type I | 14592494 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14592494 | 10.1016/j.bmcl.2003.08.058 | Protein farnesyltransferase | 2 |
| 14592494 | 10.1016/j.bmcl.2003.08.058 | Geranylgeranyl transferase type I | 1 |
Data from ChEMBL 36 via Core Engine