benzatropine


SMILES CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(c1ccccc1)c1ccccc1
InChIKey GIJXKZJWITVLHI-PMOLBWCYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 307.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Ligand site mutations M1

Sankey plot

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.59 8.59 8.59 Guide to Pharmacology
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.02 9.02 9.02 Guide to Pharmacology
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.59 8.59 8.59 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 7.39 7.39 7.39 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 9.02 9.16 9.23 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 7.58 7.58 7.58 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.52 7.52 7.52 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.84 8.84 8.84 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 7.24 7.24 7.24 ChEMBL
H2 HRH2 Human Histamine A pKi 5.93 5.93 5.93 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 9.48 9.48 9.48 ChEMBL
H1 HRH1 Human Histamine A pKi 9.43 9.43 9.43 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 9.56 9.56 9.56 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.69 6.69 6.69 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 5.89 5.89 5.89 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.9 6.9 6.9 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.44 8.44 8.44 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.5 7.5 7.5 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 9.88 9.88 9.88 ChEMBL
D3 DRD3 Human Dopamine A pKi 6.65 6.65 6.65 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.16 8.16 8.16 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.13 8.13 8.13 Drug Central
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.23 8.23 8.23 Drug Central
M1 ACM1 Human Acetylcholine (muscarinic) A pKi 8.02 8.02 8.02 Drug Central
M2 ACM2 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M3 ACM3 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M4 ACM4 Human Acetylcholine (muscarinic) A pKi 8.05 8.05 8.05 Drug Central
M5 ACM5 Human Acetylcholine (muscarinic) A pKi 8.07 8.07 8.07 Drug Central
α2A ADA2A Human Adrenoceptors A pKi 8.17 8.17 8.17 Drug Central
α2B ADA2B Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
α2C ADA2C Human Adrenoceptors A pKi 8.14 8.14 8.14 Drug Central
D3 DRD3 Human Dopamine A pKi 8.18 8.18 8.18 Drug Central
H1 HRH1 Human Histamine A pKi 8.05 8.05 8.05 Drug Central
H2 HRH2 Human Histamine A pKi 8.23 8.23 8.23 Drug Central
α1B ADA1B Rat Adrenoceptors A pKi 8.13 8.13 8.13 Drug Central
M1 ACM1 Rat Acetylcholine (muscarinic) A pKi 8.03 8.03 8.03 Drug Central
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.09 8.09 8.09 Drug Central
α1D ADA1D Human Adrenoceptors A pKi 8.12 8.12 8.12 Drug Central
M2 ACM2 Rat Acetylcholine (muscarinic) A pKi 8.07 8.07 8.07 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pIC50 7.13 7.13 7.13 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 6.85 6.85 6.85 ChEMBL
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 8.05 8.3 8.55 ChEMBL
α1D ADA1D Human Adrenoceptors A pIC50 7.28 7.28 7.28 ChEMBL
α2B ADA2B Human Adrenoceptors A pIC50 7.19 7.19 7.19 ChEMBL
M5 ACM5 Human Acetylcholine (muscarinic) A pIC50 8.7 8.7 8.7 ChEMBL
α2C ADA2C Human Adrenoceptors A pIC50 6.4 6.4 6.4 ChEMBL
H2 HRH2 Human Histamine A pIC50 5.92 5.92 5.92 ChEMBL
M4 ACM4 Human Acetylcholine (muscarinic) A pIC50 8.3 8.46 8.62 ChEMBL
H1 HRH1 Human Histamine A pIC50 8.5 8.5 8.5 ChEMBL
M3 ACM3 Human Acetylcholine (muscarinic) A pIC50 7.7 8.29 8.89 ChEMBL
α2A ADA2A Human Adrenoceptors A pIC50 6.26 6.26 6.26 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 5.55 5.55 5.55 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 6.7 6.7 6.7 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 7.2 7.6 8.0 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 7.21 7.21 7.21 ChEMBL
M1 ACM1 Human Acetylcholine (muscarinic) A pIC50 9.26 9.26 9.26 ChEMBL
D3 DRD3 Human Dopamine A pIC50 6.18 6.18 6.18 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.62 7.62 7.62 ChEMBL
α1A ADA1A Rat Adrenoceptors A pIC50 8.16 8.16 8.16 Drug Central
TSH TSHR Human Glycoprotein hormone A Potency 4.7 4.7 4.7 ChEMBL