iperoxo


SMILES C[N+](CC#CCOC1=NOCC1)(C)C
InChIKey WXXOCGISBCTWPW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 197.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 4MQT 4MQS 6OIJ 6OIK 7TRQ 7TRK 7TRP 8EA0 8E9Z 7V68

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 6.92 6.92 6.92 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 6.59 8.04 8.66 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 6.46 6.46 6.46 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKd 5.67 5.67 5.67 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Human Acetylcholine (muscarinic) A pEC50 9.8 9.8 9.8 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pEC50 9.55 9.55 9.55 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pEC50 8.69 8.69 8.69 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.9 8.9 8.9 ChEMBL
M2 Q8VH27 Guinea pig Acetylcholine (muscarinic) A pEC50 9.78 9.94 10.1 ChEMBL