DIMETHINDENE

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Synonyms
Status
Molecule Category Free-form
UNII 661FH77Z3P
EPA CompTox DTXSID9022942

Structure

InChI Key MVMQESMQSYOVGV-UHFFFAOYSA-N
Smiles CC(C1=C(CCN(C)C)Cc2ccccc21)c1ccccn1
InChI
InChI=1S/C20H24N2/c1-15(19-10-6-7-12-21-19)20-17(11-13-22(2)3)14-16-8-4-5-9-18(16)20/h4-10,12,15H,11,13-14H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24N2
Molecular Weight 292.43
AlogP 4.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 16.13
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed DOI PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- - - 44.67-794.33 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 0.6918 -

Target Conservation

Protein: Histamine H1 receptor
Description: Histamine H1 receptor
Organism : Homo sapiens
P35367 ENSG00000196639

Cross References

Resources Reference
ChEBI 135222
ChEMBL CHEMBL22108
DrugBank DB08801
DrugCentral 903
FDA SRS 661FH77Z3P
Human Metabolome Database HMDB0015691
Guide to Pharmacology 10101
SureChEMBL SCHEMBL18759
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