Compound Detail
CHEMBL495396
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Basic Information
| ChEMBL ID | CHEMBL495396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URZMQRPARYJONA-GRYCIOLGSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
-1.13
ALogP
5
HBA
5
HBD
113.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.17
IC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
| IAG-nucleoside hydrolase CHEMBL6134 | Ki | 5.17 | 5.17 | 6700.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| IAG-nucleoside hydrolase | Ki | = | 6700.0 | nM | 5.17 | Inhibition of Trypanosoma vivax IAG-nucleoside hydrolase expressed in Escherichi... | 17582660 |
| Unchecked | Ki | = | 6700.0 | nM | 5.17 | Inhibition of Trypanosoma vivax Inosine-adenosine-guanosine-nucleoside hydrolase | 20194690 |
| Trypanosoma brucei brucei | IC50 | = | 48000.0 | nM | 4.32 | Antitrypanosomal activity against suramin sensitive Trypanosoma brucei brucei Li... | 20194690 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17582660 | 10.1016/j.ejmech.2007.03.027 | IAG-nucleoside hydrolase | 1 |
| 20194690 | 10.1128/aac.01787-09 | Unchecked | 1 |
| 20194690 | 10.1128/aac.01787-09 | Trypanosoma brucei brucei | 1 |
| 20194690 | 10.1128/aac.01787-09 | Trypanosoma cruzi | 1 |
| 20194690 | 10.1128/aac.01787-09 | Leishmania infantum | 1 |
| 20194690 | 10.1128/aac.01787-09 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine