LANDIOLOL

Search structure
Synonyms:
Status: Approved (2024)
Entry Type: Small molecule
Molecule Category: Free-form
ATC: C07AB14
UNII: 62NWQ924LH

Structure
InChI Key WMDSZGFJQKSLLH-RBBKRZOGSA-N
Smile CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1
InChI
InChI=1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H39N3O8
Molecular Weight 509.6
AlogP 0.69
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 127.82
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 36.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Beta-1 adrenergic receptor antagonist Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Arrhythmias, Cardiac 2 D001145 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135809
ChEMBL CHEMBL1742466
DrugBank DB12212
DrugCentral 1545
EPA CompTox DTXSID10158026
FDA SRS 62NWQ924LH
SureChEMBL SCHEMBL121446
ZINC ZINC000003929810
CONTENTS