iloperidone
| SMILES | COc1cc(ccc1OCCCN1CCC(CC1)c1noc2c1ccc(c2)F)C(=O)C |
| InChIKey | XMXHEBAFVSFQEX-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 426.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.2 | 7.2 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 6.8 | 6.8 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.7 | 7.7 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| CCK2 | GASR | Human | Cholecystokinin | A | pKi | 8.3 | 8.3 | 8.3 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.29 | 8.29 | 8.29 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| D1 | DRD1 | Mouse | Dopamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| α2A | ADA2A | Rat | Adrenoceptors | A | pIC50 | 9.4 | 9.4 | 9.4 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| 5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| α2A | ADA2A | Rat | Adrenoceptors | A | pIC50 | 8.03 | 8.03 | 8.03 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.16 | 8.16 | 8.16 | Drug Central |
| D1 | DRD1 | Mouse | Dopamine | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2A | 5HT2A | Bovine | 5-Hydroxytryptamine | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
| 5-HT1A | 5HT1A | Mouse | 5-Hydroxytryptamine | A | pIC50 | 6.68 | 6.68 | 6.68 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.96 | 6.96 | 6.96 | Guide to Pharmacology |