Compound Detail
CHEMBL1197563
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Basic Information
| ChEMBL ID | CHEMBL1197563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COPJJLIBBWNVEG-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
1.51
ALogP
6
HBA
4
HBD
139.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.6 | 6.48 | 250.0 | 3 |
| Leishmania donovani CHEMBL367 | IC50 | 4.84 | 4.84 | 14300.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.67 | 4.67 | 21530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | IC50 | = | 250.0 | nM | 6.6 | AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) | - |
| Trypanosoma brucei brucei | IC50 | = | 250.0 | nM | 6.6 | Antitrypanosomal activity against Trypanosoma brucei brucei by pathogen box scre... | 30647879 |
| Trypanosoma brucei brucei | IC50 | = | 270.0 | nM | 6.57 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Trypanosoma brucei brucei | IC50 | = | 540.0 | nM | 6.27 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Leishmania donovani | IC50 | = | 14300.0 | nM | 4.84 | AntiLeishmania activity L. donovani (axenic) IC50 (uM) | - |
| Trypanosoma cruzi | IC50 | = | 21530.0 | nM | 4.67 | AntiTrypanosoma cruzi activity IC50 (uM) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 4 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma brucei | 2 |
| - | 10.6019/CHEMBL3832761 | Leishmania donovani | 2 |
| - | 10.6019/CHEMBL3832761 | L6 | 1 |
| - | 10.6019/CHEMBL3832761 | MRC5 | 1 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL3832761 | Trypanosoma cruzi | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania infantum | 1 |
| - | 10.6019/CHEMBL3832761 | Leishmania | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
Data from ChEMBL 36 via Core Engine