Compound Detail
CHEMBL213330
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Cc1ccccc1CN(CCN(Cc1cncn1C)c1ccc(-c2ccccc2)cc1)S(=O)(=O)c1cn(C)cn1
Basic Information
| ChEMBL ID | CHEMBL213330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAZKPPOQQJGGBL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
554.7
MW (Da)
5.03
ALogP
7
HBA
0
HBD
76.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) CHEMBL2111381 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1567 | hr | Mus musculus |
| T1/2 | 0.1583 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein farnesyltransferase (PFT) | IC50 | = | 8.0 | nM | 8.1 | Inhibition of Plasmodium falciparum PFT | 16970397 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase (PFT) | 4 |
| 16970397 | 10.1021/jm060081v | Plasmodium falciparum | 2 |
| 16970397 | 10.1021/jm060081v | Protein farnesyltransferase | 1 |
| 16970397 | 10.1021/jm060081v | Caco-2 | 1 |
| 16970397 | 10.1021/jm060081v | Mus musculus | 1 |
| 16970397 | 10.1021/jm060081v | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine