DOBUTAMINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 0WR771DJXV
Parent Compound: DOBUTAMINE

Structure

InChI Key BQKADKWNRWCIJL-UHFFFAOYSA-N
Smiles CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1.Cl
InChI
InChI=1S/C18H23NO3.ClH/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;/h4-9,12-13,19-22H,2-3,10-11H2,1H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClNO3
Molecular Weight 337.85
AlogP 2.96
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 7.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Beta-1 adrenergic receptor agonist AGONIST FDA
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
- - - - 91.62-105.82
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 91.62-105.82

Target Conservation

Protein: Beta-2 adrenergic receptor
Description: Beta-2 adrenergic receptor
Organism : Homo sapiens
P07550 ENSG00000169252
Protein: Beta-1 adrenergic receptor
Description: Beta-1 adrenergic receptor
Organism : Homo sapiens
P08588 ENSG00000043591

Cross References

Resources Reference
ChEBI 4671
ChEMBL CHEMBL1200418
FDA SRS 0WR771DJXV
Guide to Pharmacology 535
KEGG C06967
PubChem 65324
SureChEMBL SCHEMBL41609
ZINC ZINC00057278
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