Compound Detail
CHEMBL3216925
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Basic Information
| ChEMBL ID | CHEMBL3216925 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYBVSMLMXOSFSL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL26857 |
| Active Moiety | CHEMBL26857 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
106.1
MW (Da)
-1.80
ALogP
4
HBA
3
HBD
81.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ornithine decarboxylase CHEMBL3511 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ornithine decarboxylase | IC50 | = | 39.0 | nM | 7.41 | Inhibition of rat liver ornithine decarboxylase | 20615694 |
| Unchecked | IC50 | = | 48.0 | nM | 7.32 | Inhibition of Trypanosoma brucei ornithine decarboxylase | 20615694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20615694 | 10.1016/j.bmcl.2010.06.070 | Unchecked | 1 |
| 20615694 | 10.1016/j.bmcl.2010.06.070 | Trypanosoma brucei brucei | 1 |
| 20615694 | 10.1016/j.bmcl.2010.06.070 | Ornithine decarboxylase | 1 |
Data from ChEMBL 36 via Core Engine