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 |
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 |