ENRASENTAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: QG16H8A6ZH

Structure
InChI Key GLCKXJLCYIJMRB-UPRLRBBYSA-N
Smile CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2
InChI
InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H30O8
Molecular Weight 506.55
AlogP 4.56
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 103.68
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Endothelin receptor ET-A antagonist PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Endothelin receptor
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 156258
ChEMBL CHEMBL431651
DrugBank DB06460
EPA CompTox DTXSID50168260
FDA SRS QG16H8A6ZH
PubChem 178103
SureChEMBL SCHEMBL1649828
ZINC ZINC000003825437
CONTENTS