Compound Detail
CHEMBL116916
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL116916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGYDFHXSRVOOLR-JRJSLVRASA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
-1.14
ALogP
6
HBA
3
HBD
153.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.4
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphogluconate dehydrogenase, decarboxylating CHEMBL3404 | Ki | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 6-phosphogluconate dehydrogenase, decarboxylating | Ki | = | 40000.0 | nM | 4.4 | Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma bruc... | 15189039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15189039 | 10.1021/jm031066i | 6-phosphogluconate dehydrogenase, decarboxylating | 2 |
| 15189039 | 10.1021/jm031066i | Unchecked | 1 |
| 15189039 | 10.1021/jm031066i | Trypanosoma brucei | 1 |
| 15189039 | 10.1021/jm031066i | Trypanosoma cruzi | 1 |
| 15189039 | 10.1021/jm031066i | Leishmania donovani | 1 |
| 15189039 | 10.1021/jm031066i | Plasmodium falciparum | 1 |
| 15189039 | 10.1021/jm031066i | L6 | 1 |
Data from ChEMBL 36 via Core Engine