Compound Detail
CHEMBL3142963
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Basic Information
| ChEMBL ID | CHEMBL3142963 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRSWQOTVSIGUSL-FGFNIIOQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
-0.48
ALogP
10
HBA
4
HBD
148.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.46 | 2400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932587 | 10.1021/jm00047a017 | Unchecked | 2 |
| 7932587 | 10.1021/jm00047a017 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine