methoctramine
| SMILES | COc1ccccc1CNCCCCCCNCCCCCCCCNCCCCCCNCc1ccccc1OC |
| InChIKey | RPMBYDYUVKEZJA-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 29 |
| Molecular weight (Da) | 582.5 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
| Ligand site mutations | M1 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.6 | 6.95 | 7.3 | Guide to Pharmacology |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.85 | 8.4 | Guide to Pharmacology |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.8 | 7.8 | 7.8 | Guide to Pharmacology |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.6 | 7.05 | 7.5 | Guide to Pharmacology |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.3 | 6.75 | 7.2 | Guide to Pharmacology |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 5.96 | 5.98 | 6.02 | ChEMBL |
| M4 | ACM4 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.49 | 7.55 | 7.58 | ChEMBL |
| M2 | ACM2 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.7 | 7.81 | 7.84 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | pKi | 7.38 | 7.42 | 7.43 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.26 | 6.38 | 6.5 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.97 | 7.2 | 7.42 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.28 | 6.42 | 6.56 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKd | 7.71 | 7.84 | 7.92 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 7.44 | 7.97 | 9.22 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKd | 6.85 | 6.85 | 6.85 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.08 | 7.19 | 7.3 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.1 | 6.5 | 6.9 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M2 | ACM2 | Pig | Acetylcholine (muscarinic) | A | pEC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.45 | 5.75 | 6.05 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 7.29 | 7.49 | 7.66 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 5.8 | 5.8 | 5.8 | ChEMBL |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |