CYPROHEPTADINE

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Synonyms
Status
Molecule Category Free-form
ATC R06AX02
UNII 2YHB6175DO
EPA CompTox DTXSID8022872

Structure

InChI Key JJCFRYNCJDLXIK-UHFFFAOYSA-N
Smiles CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1
InChI
InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H21N
Molecular Weight 287.41
AlogP 4.7
Hydrogen Bond Acceptor 1.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - 7.943 - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 83
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 4 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 140 - 63-112 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - 1 0.537 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 3.1 7.943 0.46-125.89 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 290-290 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cavia porcellus
- - 1 0.537 62-83
Homo sapiens
- - - 125.89 -
Mus musculus
- - - - 63-82
Rattus norvegicus
- - 7.943 1.6-5 30-74

Related Entries

Cross References

Resources Reference
ChEBI 4046
ChEMBL CHEMBL516
DrugBank DB00434
DrugCentral 765
FDA SRS 2YHB6175DO
Human Metabolome Database HMDB0014578
Guide to Pharmacology 277
KEGG C06935
PDB C7H
PharmGKB PA164749366
PubChem 2913
SureChEMBL SCHEMBL4021
ZINC ZINC000000968264
CONTENTS