ASENAPINE
| SMILES | CN1CC2c3ccccc3Oc3ccc(Cl)cc3C2C1 |
| InChIKey | VSWBSWWIRNCQIJ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 0 |
| Molecular weight (Da) | 285.1 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 9.6 | 9.6 | 9.6 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.6 | 8.61 | 8.61 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.04 | 9.04 | 9.04 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| 5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 8.07 | 8.07 | 8.07 | Drug Central |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.08 | 8.08 | 8.08 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 9.4 | 9.64 | 9.89 | PDSP Ki database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 7.17 | 7.21 | 7.26 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.27 | 7.7 | 8.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 7.99 | 8.07 | 8.14 | PDSP Ki database |
| 5-HT7 | 5HT7R | Mouse | 5-Hydroxytryptamine | A | pKi | 9.14 | 9.14 | 9.14 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 9.05 | 9.05 | 9.05 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 7.62 | 7.96 | 8.3 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 8.7 | 8.85 | 9.0 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 7.43 | 7.7 | 7.96 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.11 | 9.41 | 9.59 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.98 | 8.09 | 8.19 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.59 | 8.72 | 8.85 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | PDSP Ki database |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 7.97 | 8.64 | 9.31 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.75 | 7.82 | 7.89 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.03 | 8.91 | 9.8 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 9.57 | 9.63 | 9.7 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.72 | 7.72 | 7.72 | PDSP Ki database |
| 5-HT1D | F1MMU1 | Bovine | 5-Hydroxytryptamine | A | pKi | 7.74 | 7.74 | 7.74 | PDSP Ki database |
| μ | OPRM | Rat | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| PAF | PTAFR | Human | Platelet-activating factor | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| TP | TA2R | Human | Prostanoid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| δ | OPRD | Mouse | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| κ | OPRK | Guinea pig | Opioid | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 8.28 | 8.34 | 8.41 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 8.85 | 8.85 | 8.85 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 9.05 | 9.05 | 9.05 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 6.11 | 6.11 | 6.11 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.49 | 5.49 | 5.49 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.57 | 6.57 | 6.57 | PDSP Ki database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.41 | 8.41 | 8.41 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.36 | 8.36 | 8.36 | PDSP Ki database |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.54 | 8.54 | 8.54 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.74 | 8.74 | 8.74 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 7.64 | 7.64 | 7.64 | PDSP Ki database |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.64 | 8.64 | 8.64 | PDSP Ki database |
| κ | OPRK | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| μ | OPRM | Human | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| EP3 | PE2R3 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| CB1 | CNR1 | Rat | Cannabinoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 9.1 | 9.1 | 9.1 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 6.0 | 6.0 | 6.0 | PDSP Ki database |
| H1 | HRH1 | Rat | Histamine | A | pKi | 8.7 | 8.7 | 8.7 | PDSP Ki database |
| 5-HT2C | K7GSR7 | Pig | 5-Hydroxytryptamine | A | pKi | 9.77 | 9.77 | 9.77 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.04 | 6.04 | 6.04 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | Drug Central |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.3 | 5.3 | 5.3 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 8.12 | 8.12 | 8.12 | Drug Central |
| H4 | HRH4 | Human | Histamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| H2 | HRH2 | Human | Histamine | A | pIC50 | 8.09 | 8.09 | 8.09 | Drug Central |