Compound Detail
CHEMBL1775010
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Basic Information
| ChEMBL ID | CHEMBL1775010 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPKLCUYVISQZJY-UBEDBUPSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
-0.31
ALogP
9
HBA
4
HBD
139.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10000.0 | nM | 5.0 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 10000.0 | nM | 5.0 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932587 | 10.1021/jm00047a017 | Unchecked | 1 |
| 7932587 | 10.1021/jm00047a017 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
| 21528845 | 10.1021/jm1013852 | NAD-dependent protein deacetylase sirtuin-1 | 1 |
| 21528845 | 10.1021/jm1013852 | NAD-dependent protein deacetylase sirtuin-2 | 1 |
Data from ChEMBL 36 via Core Engine