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Drug Details

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Name:CHEMBL110305
PubChem ID:10650638
Pathway:Show KEGG pathways
InChI:InChI=1S/C28H36F2N2O6S/c1-3-5-6-14-39(35,36)32(11-4-2)13-12-31-17-21(19-8-10-24-25(16-19)38-18-37-24)26(28(33)34)27(31)20-7-9-22(29)23(30)15-20/h7-10,15-16,21,26-27H,3-6,11-14,17-18H2,1-2H3,(H,33,34)/t21-,26-,27+/m1/s1
SMILES:CCCN(S(=O)(=O)CCCCC)CCN1C[C@@H]([C@H]([C@@H]1c1ccc(c(c1)F)F)C(=O)O)c1ccc2c(c1)OCO2

Properties:
Formula:C28H36F2N2O6SAtoms:39
Molecular Weight:566.657Rotatable Bonds:13
H-bond Acceptors:8H-bond Donors:1
logP:5.7855
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_HUMANBindingDB-shows
Synonyms:
CHEBI:279879
CHEMBL110305
CID 10650638
CID10650638