Compound Detail
CHEMBL1160944
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Basic Information
| ChEMBL ID | CHEMBL1160944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCJSRWPPWSGDLH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
292.2
MW (Da)
-3.69
ALogP
9
HBA
8
HBD
188.1
PSA (Ų)
0.22
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 6-phosphogluconate dehydrogenase, decarboxylating CHEMBL3404 | Ki | 5.46 | 5.13 | 3500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 6-phosphogluconate dehydrogenase, decarboxylating | Ki | = | 3500.0 | nM | 5.46 | Inhibition constant against 6-phosphogluconate dehydrogenase of Trypanosoma bruc... | 15189039 |
| 6-phosphogluconate dehydrogenase, decarboxylating | Ki | = | 16000.0 | nM | 4.8 | Inhibition constant against 6-phosphogluconate dehydrogenase of sheep liver | 15189039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15189039 | 10.1021/jm031066i | 6-phosphogluconate dehydrogenase, decarboxylating | 2 |
Data from ChEMBL 36 via Core Engine