nefazodone
SMILES | CCc1nn(c(=O)n1CCOc1ccccc1)CCCN1CCN(CC1)c1cccc(c1)Cl |
InChIKey | VRBKIVRKKCLPHA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 469.2 |
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-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | Guide to Pharmacology |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.28 | 7.28 | 7.28 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.24 | 8.24 | 8.24 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKd | 6.8 | 6.8 | 6.8 | ChEMBL |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.0 | 8.07 | 8.15 | PDSP Ki database |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.64 | 7.28 | PDSP Ki database |
H1 | HRH1 | Guinea pig | Histamine | A | pKi | 7.52 | 7.52 | 7.52 | PDSP Ki database |
H1 | HRH1 | Human | Histamine | A | pKi | 5.0 | 5.71 | 6.43 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.1 | 7.1 | 7.1 | PDSP Ki database |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 7.14 | 7.14 | 7.14 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.82 | 5.82 | 5.82 | PDSP Ki database |
β2 | ADRB2 | Rat | Adrenoceptors | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 6.74 | 6.74 | 6.74 | PDSP Ki database |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.14 | 7.14 | 7.14 | PDSP Ki database |
α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.32 | 7.32 | 7.32 | PDSP Ki database |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
H1 | HRH1 | Human | Histamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 8.14 | 8.14 | 8.14 | Drug Central |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.04 | 6.04 | 6.04 | PDSP Ki database |
H1 | HRH1 | Rat | Histamine | A | pKi | 6.43 | 6.43 | 6.43 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NPS | NPSR1 | Human | Neuropeptide S | A | Potency | 4.9 | 4.9 | 4.9 | ChEMBL |