Compound Detail
CHEMBL1173784
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Basic Information
| ChEMBL ID | CHEMBL1173784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTHDIZOWAIGONP-KODRXGBYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
260.1
MW (Da)
-2.35
ALogP
6
HBA
6
HBD
164.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
| 6-phosphogluconate dehydrogenase, decarboxylating CHEMBL1169597 | Ki | 3.13 | 3.13 | 748000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4400.0 | nM | 5.36 | Inhibition of Trypanosoma brucei 6PGDH expressed in Escherichia coli by spectros... | 20598892 |
| 6-phosphogluconate dehydrogenase, decarboxylating | Ki | = | 748000.0 | nM | 3.13 | Inhibition of sheep 6PGDH expressed in Escherichia coli by spectroscopy | 20598892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20598892 | 10.1016/j.bmc.2010.05.077 | Unchecked | 1 |
| 20598892 | 10.1016/j.bmc.2010.05.077 | 6-phosphogluconate dehydrogenase, decarboxylating | 1 |
Data from ChEMBL 36 via Core Engine