LANDIOLOL

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Synonyms
Status
Molecule Category Free-form
ATC C07AB14
UNII 62NWQ924LH
EPA CompTox DTXSID10158026

Structure

InChI Key WMDSZGFJQKSLLH-RBBKRZOGSA-N
Smiles 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

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

Target Conservation

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

Cross References

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