ENDO-ATROPINE


SMILES CN1[C@H]2CC[C@@H]1CC(OC(=O)[C@H](CO)c1ccccc1)C2
InChIKey RKUNBYITZUJHSG-VFSICIBPSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 289.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6WJC

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M5 ACM5 Rat Acetylcholine (muscarinic) A pKi 8.74 8.74 8.74 ChEMBL
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 9.25 9.25 9.25 ChEMBL
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 9.02 9.02 9.02 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.57 8.57 8.57 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.06 9.06 9.06 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.52 9.33 9.85 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.57 9.57 9.57 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.89 8.3 8.55 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.57 9.57 9.57 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.01 8.01 8.01 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.0 8.0 8.0 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database