Compound Detail
CHEMBL69085
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Basic Information
| ChEMBL ID | CHEMBL69085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKIIRDUXGPBBLX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.2
MW (Da)
2.89
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.51 | 4.51 | 30903.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 30902.95 | nM | 4.51 | Inhibitory concentration against glyceraldehyde-3-phosphate dehydrogenase was de... | 15081008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081008 | 10.1016/j.bmcl.2004.02.025 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine