amoxapine
| SMILES | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 |
| InChIKey | QWGDMFLQWFTERH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 313.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.5 | 7.85 | 8.2 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | Guide to Pharmacology |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.59 | 6.59 | 6.59 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.34 | 6.34 | 6.34 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.21 | 6.21 | 6.21 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.31 | 6.31 | 6.31 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.96 | 7.96 | 7.96 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.46 | 7.46 | 7.46 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.75 | 9.05 | 9.35 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.34 | 7.34 | 7.34 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.4 | 8.05 | 8.7 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.39 | 7.39 | 7.4 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 7.52 | 7.87 | 8.22 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.7 | 8.7 | 8.7 | PDSP Ki database |
| D4 | DRD4 | Rat | Dopamine | A | pKi | 7.04 | 7.04 | 7.04 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.7 | 7.7 | 7.7 | PDSP Ki database |
| 5-HT7 | 5HT7R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 5.85 | 6.29 | 6.73 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.42 | 7.89 | 8.44 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.2 | 8.2 | 8.2 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.3 | 9.3 | 9.3 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.51 | 7.73 | 7.96 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 7.47 | 7.47 | 7.47 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.25 | 6.25 | 6.25 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.45 | 6.45 | 6.45 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.1 | 5.25 | 5.4 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pIC50 | 6.07 | 6.07 | 6.07 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.88 | 5.88 | 5.88 | ChEMBL |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.76 | 5.76 | 5.76 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 7.0 | 7.0 | 7.0 | ChEMBL |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.75 | 5.75 | 5.75 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
| D1 | DRD1 | Human | Dopamine | A | pIC50 | 6.41 | 6.41 | 6.41 | ChEMBL |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pIC50 | 5.92 | 5.92 | 5.92 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 8.42 | 8.42 | 8.42 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 8.81 | 8.81 | 8.81 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.87 | 6.87 | 6.87 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.7 | 6.7 | 6.7 | ChEMBL |
| TSH | TSHR | Human | Glycoprotein hormone | A | Potency | 4.8 | 4.8 | 4.8 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.5 | 4.5 | 4.5 | ChEMBL |