trazodone
| SMILES | Clc1cccc(c1)N1CCN(CC1)CCCn1nc2n(c1=O)cccc2 |
| InChIKey | PHLBKPHSAVXXEF-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 371.2 |
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-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.4 | 7.4 | 7.4 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.95 | 8.2 | Guide to Pharmacology |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 6.4 | 6.55 | 6.7 | Guide to Pharmacology |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 7.21 | 7.21 | 7.21 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 7.38 | 7.38 | 7.38 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.65 | 6.7 | 6.75 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.17 | 7.17 | 7.17 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 5.9 | 5.9 | 5.9 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.7 | 7.87 | 8.22 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.7 | 6.27 | 6.71 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.38 | 7.38 | 7.38 | PDSP Ki database |
| H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.54 | 7.54 | 7.54 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.93 | 6.97 | 7.02 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 5.38 | 5.42 | 5.46 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 5.96 | 6.31 | 6.66 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.72 | 6.98 | 7.13 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.35 | 7.46 | 7.57 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.65 | 6.65 | 6.65 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | 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 | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1E | 5HT1E | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | PDSP Ki database |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.81 | 6.81 | 6.81 | PDSP Ki database |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.15 | 6.15 | 6.15 | PDSP Ki database |
| D5 | DRD5 | Human | Dopamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| H4 | HRH4 | Human | Histamine | 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 |
| H2 | HRH2 | Human | Histamine | A | pKi | 5.48 | 5.48 | 5.48 | PDSP Ki database |
| δ | OPRD | 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 |
| CB1 | CNR1 | Human | Cannabinoid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| CB2 | CNR2 | Human | Cannabinoid | 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 |
| D3 | DRD3 | Rat | Dopamine | A | pKi | 6.45 | 6.45 | 6.45 | PDSP Ki database |
| κ | OPRK | Rat | Opioid | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.23 | 8.23 | 8.23 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| H2 | HRH2 | Human | Histamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pKi | 8.22 | 8.22 | 8.22 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.97 | 6.97 | 6.97 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.13 | 8.13 | 8.13 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.75 | 5.75 | 5.75 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.82 | 6.82 | 6.82 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
| D1 | DRD1 | Human | Dopamine | A | pKi | 5.43 | 5.43 | 5.43 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 6.96 | 6.96 | 6.96 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 6.93 | 6.93 | 6.93 | ChEMBL |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 4.65 | 4.65 | 4.65 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 6.58 | 6.58 | 6.58 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 6.41 | 6.41 | 6.41 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 6.44 | 6.44 | 6.44 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.04 | 6.04 | 6.04 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.97 | 6.97 | 6.97 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.61 | 7.16 | 7.7 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.11 | 6.11 | 6.11 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.35 | 5.35 | 5.35 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.02 | 8.02 | 8.02 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.16 | 8.16 | 8.16 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.11 | 8.11 | 8.11 | Drug Central |