loxapine
| SMILES | CN1CCN(CC1)C1=Nc2ccccc2Oc2c1cc(Cl)cc2 |
| InChIKey | XJGVXQDUIWGIRW-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 327.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | D4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.8 | 7.9 | 8.0 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.5 | 7.6 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.92 | 8.11 | 8.3 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.68 | 7.68 | 7.68 | Guide to Pharmacology |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.2 | 7.5 | 7.8 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.8 | 7.1 | 7.4 | Guide to Pharmacology |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.37 | 7.37 | 7.37 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.05 | 8.22 | 8.31 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.62 | 8.62 | 8.62 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.87 | 8.43 | 8.77 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.19 | 7.42 | 7.82 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.77 | 7.1 | 7.4 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.48 | 7.51 | 7.57 | PDSP Ki database |
| D4 | DRD4 | Rat | Dopamine | A | pKi | 7.92 | 7.92 | 7.92 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.15 | 7.74 | 8.28 | PDSP Ki database |
| D2 | A0A287B0Q7 | Pig | Dopamine | A | pKi | 6.77 | 7.29 | 7.8 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.54 | 8.02 | 8.31 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.4 | 7.74 | 8.55 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.77 | 7.89 | 8.02 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.68 | 7.89 | 8.03 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.41 | 6.74 | 6.91 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.76 | 6.97 | 7.19 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.23 | 6.34 | 6.52 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.62 | 6.83 | 7.04 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.48 | 7.64 | 7.74 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.54 | 5.58 | 5.61 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.41 | 6.41 | 6.41 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.46 | 5.46 | 5.46 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.85 | 5.85 | 5.85 | PDSP Ki database |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.11 | 6.11 | 6.11 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.65 | 6.08 | 6.52 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.51 | 7.51 | 7.51 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.97 | 6.97 | 6.97 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.1 | 7.1 | 7.1 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 7.27 | 7.27 | 7.27 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 7.12 | 7.12 | 7.12 | PDSP Ki database |
| H2 | HRH2 | Human | Histamine | A | pKi | 6.68 | 6.68 | 6.68 | PDSP Ki database |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 7.52 | 7.52 | 7.52 | PDSP Ki database |
| CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H3 | HRH3 | Guinea pig | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.06 | 7.06 | 7.06 | PDSP Ki database |
| D2 | DRD2 | Mouse | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | PDSP Ki database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 6.59 | 6.59 | 6.59 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.28 | 7.28 | 7.28 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| EP3 | PE2R3 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D1 | DRD1 | Mouse | Dopamine | A | pKi | 7.8 | 7.8 | 7.8 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.5 | 6.03 | 6.55 | ChEMBL |
| H4 | HRH4 | Human | Histamine | A | pEC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pIC50 | 7.85 | 7.85 | 7.85 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.66 | 7.66 | 7.66 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 7.27 | 7.27 | 7.27 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 8.28 | 8.28 | 8.28 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.12 | 8.12 | 8.12 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| H1 | HRH1 | Rat | Histamine | A | pIC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |