Compound Detail
CHEMBL30857
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Basic Information
| ChEMBL ID | CHEMBL30857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QJIGJBFNKLGGML-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
193.2
MW (Da)
0.66
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aromatic-L-amino-acid decarboxylase CHEMBL2841 | Ki | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aromatic-L-amino-acid decarboxylase | Ki | = | 22000.0 | nM | 4.66 | Inhibitory activity against pig kidney L-aromatic amino acid decarboxylase (Dopa... | 1573634 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1573634 | 10.1021/jm00086a009 | Aromatic-L-amino-acid decarboxylase | 4 |
Data from ChEMBL 36 via Core Engine