Compound Detail
CHEMBL194216
SPIROTRAMINE Enter ChEMBL ID:
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CN(CCCCCCCCN(C)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2)CCCCCCN1CCC2(CC1)OC(=O)C(c1ccccc1)(c1ccccc1)O2
Basic Information
| ChEMBL ID | CHEMBL194216 |
| Name | SPIROTRAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWEQLDJRUYNWOE-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
955.3
MW (Da)
10.93
ALogP
10
HBA
0
HBD
84.0
PSA (Ų)
0.04
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 7.88 | 7.88 | 13.2 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL317 | Ki | 6.27 | 6.27 | 537.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 6.01 | 6.01 | 977.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 13.18 | nM | 7.88 | Inhibition of binding of [3H]pirenzepine to muscarinic receptor (M1) in rat cort... | - |
| Muscarinic acetylcholine receptor M4 | Ki | = | 537.03 | nM | 6.27 | Inhibition of binding of [3H]N-methylscopolamine to Muscarinic acetylcholine rec... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 630.96 | nM | 6.2 | Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M2) in ... | - |
| Muscarinic acetylcholine receptor M3 | Ki | = | 977.24 | nM | 6.01 | Inhibition of binding of [3H]N-methylscopolamine to muscarinic receptor (M3) in ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M1 | 1 |
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M2 | 1 |
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M3 | 1 |
| - | 10.1016/0960-894X(95)00113-8 | Muscarinic acetylcholine receptor M4 | 1 |
Data from ChEMBL 36 via Core Engine