Compound Detail
CHEMBL307758
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COc1cccc(C(=O)NC2C(O)[C@@H](COP(=O)(O)O)O[C@H]2n2cnc3c(NCc4cccc5ccccc45)ncnc32)c1
Basic Information
| ChEMBL ID | CHEMBL307758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCJVICQJLSYOTE-NLRLUFBBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
620.6
MW (Da)
2.77
ALogP
11
HBA
5
HBD
190.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 5000.0 | nM | 5.3 | Inhibitory concentration of compound against glyceraldehyde-3-phosphate dehydrog... | 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