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

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