Compound Detail
CHEMBL425539
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cn1cncc1C(OCc1cn(Cc2ccccc2C#N)c(=O)cc1-c1cccc(Cl)c1)c1ccc(C#N)cc1
Basic Information
| ChEMBL ID | CHEMBL425539 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVUINSKBUODDHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
546.0
MW (Da)
6.00
ALogP
7
HBA
0
HBD
96.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.64 | 8.64 | 2.3 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2.3 | nM | 8.64 | Inhibition of [3H]FPP incorporation into biotin-linked K-ras decapeptide (CVIM) ... | 15324873 |
| Geranylgeranyl transferase type I | IC50 | = | 7700.0 | nM | 5.11 | inhibitory concentration needed to to reduce the bovine GGTase-catalyzed incorpo... | 15324873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15324873 | 10.1016/j.bmcl.2004.07.004 | Unchecked | 1 |
| 15324873 | 10.1016/j.bmcl.2004.07.004 | Geranylgeranyl transferase type I | 1 |
| 15324873 | 10.1016/j.bmcl.2004.07.004 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine