Compound Detail
CHEMBL3290295
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Basic Information
| ChEMBL ID | CHEMBL3290295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFDNNODDLIHAKN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
440.6
MW (Da)
3.43
ALogP
7
HBA
0
HBD
70.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.01 | 5.005 | 9772.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | EC50 | = | 9772.0 | nM | 5.01 | Antitrypanosomal activity against bloodstream Trypanosoma brucei brucei Lister 4... | 24805946 |
| Trypanosoma brucei brucei | EC50 | = | 10000.0 | nM | 5.0 | Antitrypanosomal activity against Trypanosoma brucei brucei Lister 427 blood str... | 33479690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33479690 | 10.1039/d0md00103a | No relevant target | 2 |
| 24805946 | 10.1021/jm500361r | Trypanosoma brucei brucei | 1 |
| 24805946 | 10.1021/jm500361r | HepG2 | 1 |
| 24805946 | 10.1021/jm500361r | ADMET | 1 |
| 33479690 | 10.1039/d0md00103a | Trypanosoma brucei brucei | 1 |
| 33479690 | 10.1039/d0md00103a | MRC5 | 1 |
| 33479690 | 10.1039/d0md00103a | L6 | 1 |
| 33479690 | 10.1039/d0md00103a | THP-1 | 1 |
Data from ChEMBL 36 via Core Engine