ESMOLOL

Search structure
Synonyms:
Status: Approved (1986) Withdrawn (2007)
Entry Type: Small molecule
Molecule Category: Parent
ATC: C07AB09
UNII: MDY902UXSR

Structure
InChI Key AQNDDEOPVVGCPG-UHFFFAOYSA-N
Smile COC(=O)CCc1ccc(OCC(O)CNC(C)C)cc1
InChI
InChI=1S/C16H25NO4/c1-12(2)17-10-14(18)11-21-15-7-4-13(5-8-15)6-9-16(19)20-3/h4-5,7-8,12,14,17-18H,6,9-11H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25NO4
Molecular Weight 295.38
AlogP 1.53
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 67.79
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Primary Target
β1-adrenoceptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - 0-100 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 31

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Coronary Disease 3 D003327 ClinicalTrials
Intracranial Aneurysm 3 D002532 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Sinusitis 2 D012852 ClinicalTrials
Atrial Fibrillation 2 D001281 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Reperfusion Injury 1 D015427 ClinicalTrials
Brain Neoplasms 1 D001932 ClinicalTrials
Ovarian Cysts 1 D010048 ClinicalTrials

Related Entries

MCS

UNKNOWN

Cross References

Resources Reference
CAS NUMBER 81147-92-4
ChEBI 88206
ChEMBL CHEMBL768
DrugBank DB00187
DrugCentral 1054
EPA CompTox DTXSID4022995
FDA SRS MDY902UXSR
Human Metabolome Database HMDB0014333
Guide to Pharmacology 7178
KEGG C06980
PharmGKB PA449500
PubChem 59768
SureChEMBL SCHEMBL3605
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