Compound Detail
CHEMBL395222
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Cn1cnc(S(=O)(=O)N(Cc2ccc(-n3cccn3)cc2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1
Basic Information
| ChEMBL ID | CHEMBL395222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRYJAJAKPOELII-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
567.7
MW (Da)
3.03
ALogP
10
HBA
0
HBD
117.9
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Protein farnesyltransferase CHEMBL2094108 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.5 | nM | 9.3 | Inhibition of Plasmodium falciparum protein farnesyltransferase by scintillation... | 17722901 |
| Protein farnesyltransferase | IC50 | = | 2.6 | nM | 8.59 | Inhibition of protein farnesyltransferase | 17722901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17722901 | 10.1021/jm0703340 | Unchecked | 4 |
| 17722901 | 10.1021/jm0703340 | Plasmodium falciparum | 2 |
| 17722901 | 10.1021/jm0703340 | Protein farnesyltransferase | 1 |
Data from ChEMBL 36 via Core Engine