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

Sankey plot

Compound is not listed as a drug.

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
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.1 6.5 6.9 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 6.6 7.05 7.5 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
M1 ACM1 Fruit fly Acetylcholine (muscarinic) A pKi 5.41 5.47 5.54 ChEMBL
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 7.49 7.55 7.58 ChEMBL
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.96 5.98 6.02 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 7.31 7.73 8.34 PDSP Ki database
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 8.04 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
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 6.39 7.32 8.99 PDSP Ki database
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 6.22 7.24 7.8 PDSP Ki database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.51 7.05 7.3 PDSP Ki database
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 7.14 7.52 8.09 PDSP Ki database
M4 ACM4 Chicken Acetylcholine (muscarinic) A pKi 7.86 7.86 7.86 PDSP Ki database
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.11 7.76 8.44 PDSP Ki database
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.56 6.71 6.93 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.5 6.87 7.24 PDSP Ki database
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 5.52 6.1 6.88 PDSP Ki database
M4 ACM4 Mouse Acetylcholine (muscarinic) A pKi 6.8 6.8 6.8 PDSP Ki database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.3 6.75 7.2 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 7.5 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