DROPERIDOL
| SMILES | O=C(CCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1 |
| InChIKey | RMEDXOLNCUSCGS-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 379.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.01 | 8.01 | 8.01 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.0 | 7.0 | 7.0 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.18 | 9.18 | 9.18 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.39 | 7.39 | 7.39 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.27 | 6.27 | 6.27 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.13 | 9.13 | 9.13 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.03 | 9.03 | 9.03 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
| D2 | DRD2 | Bovine | Dopamine | A | pKi | 9.0 | 9.0 | 9.0 | PDSP Ki database |
| D1 | DRD1 | Bovine | Dopamine | A | pKi | 6.06 | 6.06 | 6.06 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.6 | 9.6 | 9.6 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 9.08 | 9.08 | 9.08 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.75 | 7.75 | 7.75 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.78 | 8.78 | 8.78 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.08 | 7.08 | 7.08 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.64 | 5.64 | 5.64 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.53 | 5.53 | 5.53 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 5.34 | 5.34 | 5.34 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.62 | 6.62 | 6.62 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.59 | 8.59 | 8.59 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.56 | 8.56 | 8.56 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.62 | 8.62 | 8.62 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.06 | 8.06 | 8.06 | Drug Central |