Compound Detail
CHEMBL1946186
DEPTROPINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1946186 |
| Name | DEPTROPINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZWPODSUQWXAZNC-PMOLBWCYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
14
Publications
3
Known Names
1
Indications
Molecular Properties
333.5
MW (Da)
4.52
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Hypersensitivity
ATC Classification
R06AX16
deptropine
Level 1: RESPIRATORY SYSTEM
Level 2: ANTIHISTAMINES FOR SYSTEMIC USE
Activity Summary
Ki 3 meas. best 6.4
IC50 1 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholine-binding protein CHEMBL6084 | Ki | 6.4 | 6.05 | 398.1 | 2 |
| Soluble acetylcholine receptor CHEMBL1944497 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.18 | 5.18 | 6580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholine-binding protein | Ki | = | 398.11 | nM | 6.4 | Displacement of [125I]alpha-bungarotoxin from Lymnaea stagnalis His-tagged AchBP | 19331415 |
| Acetylcholine-binding protein | Ki | = | 1995.26 | nM | 5.7 | Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding pro... | 22243960 |
| Soluble acetylcholine receptor | Ki | = | 6309.57 | nM | 5.2 | Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding p... | 22243960 |
| Unchecked | IC50 | = | 6580.0 | nM | 5.18 | Inhibition of Ebolavirus glycoprotein/matrix protein VP40 entry in human HeLa ce... | 29624387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Unchecked | 4 |
| 20031418 | 10.1016/j.bmc.2009.11.060 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19331415 | 10.1021/jm801400g | Acetylcholine-binding protein | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Acetylcholine-binding protein | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Soluble acetylcholine receptor | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 22243960 | 10.1016/j.bmcl.2011.12.008 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | NPC intracellular cholesterol transporter 1 | 1 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Fibroblast | 1 |
| 29624387 | 10.1021/acs.jmedchem.8b00035 | Procathepsin L | 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