CYPROHEPTADINE

Search structure
Synonyms:
Status: Approved (1961)
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AX02
UNII: 2YHB6175DO

Structure
InChI Key JJCFRYNCJDLXIK-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 3.24
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Primary Target
H1 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Epigenetic regulator Writer Protein methyltransferase SET domain
- 1000-20000 - 15000 -
Ion channel Ligand-gated ion channel 5HT3 receptor
- - 8 - -
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 7750-42220 - - -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 1000 - - 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 - 112 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - 1 1 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 3 8 1-3 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 290 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alcoholism 2 D000437 ClinicalTrials
Abdominal Pain 2 D015746 ClinicalTrials
Stroke 0 D020521 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 129-03-3
ChEBI 4046
ChEMBL CHEMBL516
DrugBank DB00434
DrugCentral 765
EPA CompTox DTXSID8022872
FDA SRS 2YHB6175DO
Human Metabolome Database HMDB0014578
Guide to Pharmacology 277
KEGG C06935
PDB C7H
PharmGKB PA164749366
PubChem 2913
SureChEMBL SCHEMBL4021
ZINC ZINC000000968264
CONTENTS