Compound Detail
CHEMBL151938
MILAMELINE 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL151938 |
| Name | MILAMELINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | YMMXHEYLRHNXAB-RMKNXTFCSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
13
Publications
4
Known Names
Molecular Properties
154.2
MW (Da)
0.88
ALogP
3
HBA
0
HBD
24.8
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 3 meas. best 6.0
IC50 2 meas. best 6.96
EC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 7.68 | 7.68 | 21.0 | 1 |
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 6.96 | 5.905 | 110.0 | 2 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.25 | 5.25 | 5623.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 21.0 | nM | 7.68 | Agonist activity at human m1 muscarinic acetylcholine receptor expressed in HEK2... | 25765911 |
| Muscarinic acetylcholine receptor | IC50 | = | 110.0 | nM | 6.96 | In vitro binding affinity against Muscarinic receptor in rat cerebral cortex usi... | - |
| Muscarinic acetylcholine receptor M2 | Ki | = | 1000.0 | nM | 6.0 | Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M5 | Ki | = | 3162.28 | nM | 5.5 | Binding affinity to human cloned muscarinic M5 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 5623.41 | nM | 5.25 | Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells | 18182302 |
| Muscarinic acetylcholine receptor | IC50 | = | 14000.0 | nM | 4.85 | In vitro binding affinity against Muscarinic receptor in rat cerebral cortex usi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80154-2 | Muscarinic acetylcholine receptor | 3 |
| - | 10.1016/S0960-894X(01)80154-2 | No relevant target | 3 |
| - | 10.1016/S0960-894X(01)80154-2 | Rattus norvegicus | 2 |
| 25765911 | 10.1016/j.bmcl.2015.02.012 | Muscarinic acetylcholine receptor M1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1016/S0960-894X(01)80154-2 | Unchecked | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M1 | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M2 | 1 |
| 18182302 | 10.1016/j.bmc.2007.12.036 | Muscarinic acetylcholine receptor M5 | 1 |
| 25765911 | 10.1016/j.bmcl.2015.02.012 | Muscarinic acetylcholine receptor M2 | 1 |
| 25765911 | 10.1016/j.bmcl.2015.02.012 | Muscarinic acetylcholine receptor M3 | 1 |
| 25765911 | 10.1016/j.bmcl.2015.02.012 | Muscarinic acetylcholine receptor M4 | 1 |
| 25765911 | 10.1016/j.bmcl.2015.02.012 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine