METHAPYRILENE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII 00S42N58OM
EPA CompTox DTXSID0020818

Structure

InChI Key BONORRGKLJBGRV-UHFFFAOYSA-N
Smiles CN(C)CCN(Cc1cccs1)c1ccccn1.Cl
InChI
InChI=1S/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H20ClN3S
Molecular Weight 297.86
AlogP 2.71
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 19.37
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Mechanism of Action Action Reference
Histamine H1 receptor antagonist ANTAGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 82.96-83.03
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 82.96-83.03

Target Conservation

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

Cross References

Resources Reference
ChEBI 38213
ChEMBL CHEMBL1255739
FDA SRS 00S42N58OM
PubChem 8667
SureChEMBL SCHEMBL498484
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