Compound Detail
CHEMBL234757
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
Cn1cnc(S(=O)(=O)N(Cc2ccc(C(=O)O)cc2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1
Basic Information
| ChEMBL ID | CHEMBL234757 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQPVEMPAVWJDIH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.6
MW (Da)
2.55
ALogP
9
HBA
1
HBD
137.3
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase | IC50 | = | 4.8 | nM | 8.32 | Inhibition of protein farnesyltransferase | 17722901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17722901 | 10.1021/jm0703340 | Unchecked | 3 |
| 17722901 | 10.1021/jm0703340 | Plasmodium falciparum | 2 |
| 17722901 | 10.1021/jm0703340 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine