ISOXSUPRINE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII V74TEQ36CO
EPA CompTox DTXSID1045328

Structure

InChI Key QVPSGVSNYPRFAS-UHFFFAOYSA-N
Smiles CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.Cl
InChI
InChI=1S/C18H23NO3.ClH/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15;/h3-11,13-14,18-21H,12H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClNO3
Molecular Weight 337.85
AlogP 2.87
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 61.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-1 antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed 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
- - - - 38.44-77.52
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 38.44-77.52

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Adrenergic receptor alpha-1
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha-1
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha-1
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214

Cross References

Resources Reference
ChEBI 31735
ChEMBL CHEMBL559180
FDA SRS V74TEQ36CO
PubChem 73415938
SureChEMBL SCHEMBL124661
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