Compound Detail
CHEMBL539862
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COC(=O)N1CCC(CN(C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)S(=O)(=O)c2ccccn2)CC1.Cl
Basic Information
| ChEMBL ID | CHEMBL539862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXNCGDHZGSJYNF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL232104 |
| Active Moiety | CHEMBL232104 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.7
MW (Da)
2.79
ALogP
9
HBA
0
HBD
124.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.29 | nM | 9.54 | Inhibition of Plasmodium falciparum protein farnesyltransferase by scintillation... | 17722901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17722901 | 10.1021/jm0703340 | Unchecked | 4 |
| 17722901 | 10.1021/jm0703340 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine