DOBUTAMINE

Search structure
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C01CA07
UNII: 3S12J47372

Structure
InChI Key JRWZLRBJNMZMFE-UHFFFAOYSA-N
Smile CC(CCc1ccc(O)cc1)NCCc1ccc(O)c(O)c1
InChI
InChI=1S/C18H23NO3/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

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23NO3
Molecular Weight 301.39
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

Primary Target
β1-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Lyase
- - - 12020 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 4170 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiovascular Diseases 4 D002318 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Acute Lung Injury 2 D055371 ClinicalTrials
Shock 2 D012769 ClinicalTrials
Brain Injuries 2 D001930 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 34368-04-2
ChEBI 4670
ChEMBL CHEMBL926
DrugBank DB00841
DrugCentral 937
EPA CompTox DTXSID3022958
FDA SRS 3S12J47372
Human Metabolome Database HMDB0014979
Guide to Pharmacology 535
KEGG C06967
PharmGKB PA449381
PubChem 36811
SureChEMBL SCHEMBL21237
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