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Drug Details

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Name:CHEMBL279259
PubChem ID:44458171
Pathway:Show KEGG pathways
InChI:InChI=1S/C43H60N8O10/c1-6-24(3)36(41(58)49-34(43(60)61)21-28-23-46-31-18-12-11-16-29(28)31)51-42(59)37(25(4)7-2)50-40(57)33(22-35(53)54)48-38(55)30(44)17-13-19-45-39(56)32(47-26(5)52)20-27-14-9-8-10-15-27/h8-12,14-16,18,23-25,30,32-34,36-37,46H,6-7,13,17,19-22,44H2,1-5H3,(H,45,56)(H,47,52)(H,48,55)(H,49,58)(H,50,57)(H,51,59)(H,53,54)(H,60,61)/t24-,25-,30+,32-,33-,34-,36+,37-/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C)N)CC(=O)O)C

Properties:
Formula:C43H60N8O10Atoms:61
Molecular Weight:848.984Rotatable Bonds:31
H-bond Acceptors:17H-bond Donors:10
logP:4.3179
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_MOUSEBindingDB-shows
Synonyms:
CHEBI:128571
CHEMBL279259