DILEVALOL HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII O5OBT75D2C
EPA CompTox DTXSID7020477

Structure

InChI Key WQVZLXWQESQGIF-WJKBNZMCSA-N
Smiles C[C@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(C(N)=O)c1.Cl
InChI
InChI=1S/C19H24N2O3.ClH/c1-13(7-8-14-5-3-2-4-6-14)21-12-18(23)15-9-10-17(22)16(11-15)19(20)24;/h2-6,9-11,13,18,21-23H,7-8,12H2,1H3,(H2,20,24);1H/t13-,18+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H25ClN2O3
Molecular Weight 364.87
AlogP 2.14
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 95.58
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor beta antagonist ANTAGONIST PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Adrenergic receptor beta
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Adrenergic receptor beta
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591
Protein: Adrenergic receptor beta
Description: Beta-3 adrenergic receptor
Organism : Homo sapiens
P13945 ENSG00000188778

Cross References

Resources Reference
ChEMBL CHEMBL1204165
FDA SRS O5OBT75D2C
PubChem 636407
SureChEMBL SCHEMBL588720
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