Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL1269101
PubChem ID:52943235
Pathway:Show KEGG pathways
InChI:InChI=1S/C33H33NO8/c1-3-5-6-12-40-24-10-11-27-25(17-24)31(35)26(14-20-8-7-9-22(13-20)32(36)37)30(33(38)39)34(27)18-23-16-29-28(41-19-42-29)15-21(23)4-2/h7-11,13,15-17H,3-6,12,14,18-19H2,1-2H3,(H,36,37)(H,38,39)
SMILES:CCCCCOc1ccc2c(c1)c(=O)c(c(n2Cc1cc2OCOc2cc1CC)C(=O)O)Cc1cccc(c1)C(=O)O

Properties:
Formula:C33H33NO8Atoms:42
Molecular Weight:571.617Rotatable Bonds:12
H-bond Acceptors:9H-bond Donors:2
logP:5.8971
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_HUMANBindingDB-shows
Synonyms:
CHEBI:808330
CHEMBL1269101