MIANSERIN

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Synonyms
Status
Molecule Category Free-form
ATC N06AX03
UNII 250PJI13LM
EPA CompTox DTXSID6023317

Structure

InChI Key UEQUQVLFIPOEMF-UHFFFAOYSA-N
Smiles CN1CCN2c3ccccc3Cc3ccccc3C2C1
InChI
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H20N2
Molecular Weight 264.37
AlogP 3.08
Hydrogen Bond Acceptor 2.0
Polar Surface Area 6.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 70-252 -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 57.4
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 0.07-407.38 53.7-251.19 3.8-99 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 828 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 0.006-880 - 0.8511-1.7 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 7.413-398.11 398.11 1.1-580 95-98
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 22 - 26-101 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 48.4
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Bos taurus
- - 19-43 17-43 -
Cavia porcellus
- 190-880 - 0.8511-71 57.4
Homo sapiens
- - - 1.2-56 48.4-98
Oryctolagus cuniculus
- - 251.19 - -
Rattus norvegicus
- 11.75-26.92 53.7 3.04-101 -
Sus scrofa
- - - 3.8-10 -

Cross References

Resources Reference
ChEBI 51137
ChEMBL CHEMBL6437
DrugBank DB06148
DrugCentral 1796
FDA SRS 250PJI13LM
Human Metabolome Database HMDB0015620
Guide to Pharmacology 135
PharmGKB PA134687937
PubChem 4184
SureChEMBL SCHEMBL18020
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