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Drug Details

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Name:CHEMBL110899
PubChem ID:10209320
Pathway:Show KEGG pathways
InChI:InChI=1S/C28H38N2O7S/c1-5-12-30(38(33,34)17-19(2)3)14-13-29-16-23(21-8-11-24-25(15-21)37-18-36-24)26(28(31)32)27(29)20-6-9-22(35-4)10-7-20/h6-11,15,19,23,26-27H,5,12-14,16-18H2,1-4H3,(H,31,32)/t23-,26-,27+/m1/s1
SMILES:CCCN(S(=O)(=O)CC(C)C)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(cc1)OC)C(=O)O)c1ccc2c(c1)OCO2

Properties:
Formula:C28H38N2O7SAtoms:38
Molecular Weight:546.676Rotatable Bonds:12
H-bond Acceptors:9H-bond Donors:1
logP:4.9817
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_HUMANBindingDB-shows
Synonyms:
CHEBI:279880
CHEMBL110899
CID 10209320
CID10209320