TRAZODONE

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Synonyms
Status
Molecule Category Free-form
ATC N06AX05
UNII YBK48BXK30
EPA CompTox DTXSID5045043

Structure

InChI Key PHLBKPHSAVXXEF-UHFFFAOYSA-N
Smiles O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
InChI
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22ClN5O
Molecular Weight 371.87
AlogP 2.36
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 45.78
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 13.75
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - - 38
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 26.2-79.6
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 281-281 - - 49
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - - 12
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
785 17-243 - 223.87 38-78
Membrane receptor
785 17-243 - 223.87 38-78
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - - 0
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - - - 5
Cavia porcellus
- - - - 26.2-79.6
Homo sapiens
785 243 - - 13.75
Rattus norvegicus
- - - - 0-78
Sus scrofa
- - - - 29

Environmental Exposure

Environmental Exposure Map
Countries
Croatia
Czech Republic
Germany
Hungary
Romania
Slovakia
Slovenia

Cross References

Resources Reference
CAS NUMBER 19794-93-5
ChEBI 9654
ChEMBL CHEMBL621
DrugBank DB00656
DrugCentral 2717
FDA SRS YBK48BXK30
Human Metabolome Database HMDB0014794
Guide to Pharmacology 213
KEGG C07156
PharmGKB PA451744
PubChem 5533
SureChEMBL SCHEMBL28167
ZINC ZINC000000538483
CONTENTS