Compound Detail
CHEMBL3142964
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COc1cccc(C(=O)N[C@@H]2[C@H](O)[C@@H](CO)O[C@H]2n2cnc3c(N)ncnc32)c1
Basic Information
| ChEMBL ID | CHEMBL3142964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUKVLQWGVRRKFN-LZDVPDMXSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
-0.53
ALogP
10
HBA
4
HBD
157.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.52 | 6.09 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 300.0 | nM | 6.52 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
| Unchecked | IC50 | = | 2200.0 | nM | 5.66 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932587 | 10.1021/jm00047a017 | Unchecked | 2 |
| 7562915 | 10.1021/jm00019a014 | Unchecked | 2 |
| 9822549 | 10.1021/jm9802620 | Unchecked | 1 |
| 7932587 | 10.1021/jm00047a017 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
| 7562915 | 10.1021/jm00019a014 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine