atropine


SMILES OCC(c1ccccc1)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C
InChIKey RKUNBYITZUJHSG-SPUOUPEWSA-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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations M1 M3 M5

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.5 9.05 9.6 Guide to Pharmacology
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.8 8.5 9.2 Guide to Pharmacology
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.5 9.15 9.8 Guide to Pharmacology
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.7 9.1 9.5 Guide to Pharmacology
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.3 8.8 9.3 Guide to Pharmacology
α2A ADA2A Human Adrenoceptors A pKi 4.85 4.85 4.85 Guide to Pharmacology
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 9.7 9.7 9.7 Guide to Pharmacology
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 9.0 9.05 9.1 Guide to Pharmacology
M5 ACM5 Rat Acetylcholine (muscarinic) A pKi 9.4 9.4 9.4 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.0 9.35 9.7 Guide to Pharmacology
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 8.7 9.0 9.3 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.85 9.21 9.59 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKd 8.89 8.89 8.89 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.18 6.18 6.18 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.83 9.23 9.68 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.52 9.14 9.98 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.66 9.13 9.36 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 7.73 8.61 9.46 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKd 8.7 8.79 8.87 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.28 6.28 6.28 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.7 9.26 9.6 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.29 8.29 8.29 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.2 8.2 8.2 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.03 8.04 8.05 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.03 8.04 8.05 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.01 8.02 8.02 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.0 8.02 8.03 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.03 8.04 8.04 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.31 8.31 8.31 Drug Central
H1 HRH1 Human Histamine A pKi 8.23 8.23 8.23 Drug Central
M2 ACM2 Mouse Acetylcholine (muscarinic) A pKi 8.02 8.02 8.02 Drug Central
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
M5 ACM5 Rat Acetylcholine (muscarinic) A pKi 8.04 8.04 8.04 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.02 8.02 8.02 Drug Central
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 8.0 8.0 8.0 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.21 8.21 8.21 Drug Central
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 9.28 9.28 9.28 ChEMBL
M4 ACM4 Rat Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 Drug Central
M2 ACM2 Mouse Acetylcholine (muscarinic) A pKi 9.15 9.3 9.46 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.12 8.86 9.15 ChEMBL
M2 ACM2 Rat Acetylcholine (muscarinic) A pKd 8.57 8.57 8.57 ChEMBL
M5 ACM5 Rat Acetylcholine (muscarinic) A pKi 9.07 9.07 9.07 ChEMBL
M3 ACM3 Rat Acetylcholine (muscarinic) A pKi 9.1 9.51 9.92 ChEMBL
M3 ACM3 Rat Acetylcholine (muscarinic) A pKd 9.2 9.2 9.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1D ADA1D Human Adrenoceptors A pIC50 5.87 5.87 5.87 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 9.04 9.04 9.04 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 9.13 9.13 9.13 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 8.49 8.59 8.68 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 6.45 7.76 8.43 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 6.0 6.0 6.0 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 8.82 8.82 8.82 ChEMBL