Compound Detail
CHEMBL3637926
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Basic Information
| ChEMBL ID | CHEMBL3637926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNNUSGIPVFPVBX-BPGUCPLFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
343.9
MW (Da)
5.10
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.72
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 3500.0 | nM | 5.46 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 3 |
| - | 10.6019/CHEMBL3832761 | Ancylostoma ceylanicum | 2 |
| - | 10.6019/CHEMBL3832761 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| 30647879 | 10.1039/C8MD00319J | Unchecked | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
Data from ChEMBL 36 via Core Engine