Compound Detail
CHEMBL516476
METHYLATROPINE NITRATE 🧪 Phase II
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🧪 Phase II
C[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](OC(=O)C(CO)c1ccccc1)C2.O=[N+]([O-])[O-]
Basic Information
| ChEMBL ID | CHEMBL516476 |
| Name | METHYLATROPINE NITRATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NEDVJZNVOSNSHF-KUMOIWDRSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1187724 |
| Active Moiety | CHEMBL1187724 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
11
Known Names
Molecular Properties
304.4
MW (Da)
2.08
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
Ki 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor DM1 CHEMBL2366467 | Ki | 8.74 | 8.68 | 1.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor DM1 | Ki | = | 1.8 | nM | 8.74 | Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillatio... | 17319687 |
| Muscarinic acetylcholine receptor DM1 | Ki | = | 2.4 | nM | 8.62 | Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation coun... | 17319687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17319687 | 10.1021/jf0631934 | Musca domestica | 10 |
| 17319687 | 10.1021/jf0631934 | Muscarinic acetylcholine receptor DM1 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] A | 1 |
| 18834112 | 10.1021/jm800656v | Amine oxidase [flavin-containing] B | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine