Compound Detail
CHEMBL1276574
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CN(C)CC(=O)N1CCC(C(=O)Nc2nccc(/C(C#N)=C3\NC(C(C)(C)C)=CS3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL1276574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APFGZVDICTWSTI-LTGZKZEYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
469.6
MW (Da)
2.63
ALogP
8
HBA
2
HBD
114.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.34
IC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Trypanosoma brucei CHEMBL612849 | EC50 | 6.34 | 6.34 | 458.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Trypanosoma brucei recombinant MBP-fused GSK-3 short isoform expre... | 18644955 |
| Trypanosoma brucei | EC50 | = | 458.0 | nM | 6.34 | Antitrypanosomal activity against blood stream form of Trypanosoma brucei 427 as... | 18644955 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18644955 | 10.1128/aac.00364-08 | Unchecked | 1 |
| 18644955 | 10.1128/aac.00364-08 | Trypanosoma brucei | 1 |
Data from ChEMBL 36 via Core Engine