Compound Detail
CHEMBL187254
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N#Cc1ccc(COCc2cncn2Cc2ccc(C#N)cc2-c2cccc(Cl)c2)c(-c2cccc(Cl)c2)c1
Basic Information
| ChEMBL ID | CHEMBL187254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKGMOWKLQHTNAR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
549.5
MW (Da)
8.03
ALogP
5
HBA
0
HBD
74.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2095178 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Geranylgeranyl transferase type I CHEMBL2096987 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 10.0 | nM | 8.0 | Inhibition of bovine farnesyltransferase | 15454229 |
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Inhibition of FTase | 19515462 |
| Geranylgeranyl transferase type I | IC50 | = | 87.0 | nM | 7.06 | Inhibition of bovine Geranylgeranyltransferase | 15454229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454229 | 10.1016/j.bmcl.2004.08.011 | Protein farnesyltransferase | 2 |
| 15454229 | 10.1016/j.bmcl.2004.08.011 | Geranylgeranyl transferase type I | 1 |
| 19515462 | 10.1016/j.ejmech.2009.04.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine