Compound Detail
CHEMBL3699932
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Basic Information
| ChEMBL ID | CHEMBL3699932 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUXDGHCRTSGFPG-AWEZNQCLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.75
ALogP
3
HBA
3
HBD
72.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5,6-dihydroxyindole-2-carboxylic acid oxidase CHEMBL3638355 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5,6-dihydroxyindole-2-carboxylic acid oxidase | IC50 | = | 150.0 | nM | 6.82 | Inhibition Assay: The activity of the inhibitors is measured using a lysate of B... | - |
Data from ChEMBL 36 via Core Engine