Compound Detail
CHEMBL522173
AMINDOCATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL522173 |
| Name | AMINDOCATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LOCIGFDPZFJXFT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
2
Known Names
Molecular Properties
331.5
MW (Da)
2.54
ALogP
5
HBA
0
HBD
37.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 5.92
EC50 1 meas. best 4.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.92 | 5.92 | 1196.2 | 1 |
| Vaccinia virus CHEMBL613493 | IC50 | 4.58 | 4.58 | 26000.0 | 1 |
| Vaccinia virus CHEMBL613493 | EC50 | 4.12 | 4.12 | 75000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1196.2 | nM | 5.92 | PubChem BioAssay. GLP1 secretion from STC-1 cells-IC50. (Class of assay: confi... | - |
| Vaccinia virus | IC50 | = | 26000.0 | nM | 4.58 | Inhibition of Vaccinia virus DNA synthesis in by rapid plate assay | 18808105 |
| Vaccinia virus | EC50 | = | 75000.0 | nM | 4.12 | Antiviral activity against Vaccinia virus WR in BSC1 cells assessed as reduction... | 18808105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18808105 | 10.1021/jm800366g | Vaccinia virus | 2 |
| 18808105 | 10.1021/jm800366g | ADMET | 1 |
Data from ChEMBL 36 via Core Engine