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Drug Details

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Name:CHEMBL444274
PubChem ID:44366013
Pathway:Show KEGG pathways
InChI:InChI=1S/C47H60N8O10/c1-4-28(2)41(46(63)54-39(47(64)65)25-32-27-49-34-19-12-11-18-33(32)34)55-43(60)36(22-21-30-14-7-5-8-15-30)52-45(62)38(26-40(57)58)53-42(59)35(20-13-23-48)51-44(61)37(50-29(3)56)24-31-16-9-6-10-17-31/h5-12,14-19,27-28,35-39,41,49H,4,13,20-26,48H2,1-3H3,(H,50,56)(H,51,61)(H,52,62)(H,53,59)(H,54,63)(H,55,60)(H,57,58)(H,64,65)/t28-,35+,36+,37-,38+,39+,41+/m1/s1
SMILES:NCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@@H](CC)C)CCc1ccccc1)CC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)C

Properties:
Formula:C47H60N8O10Atoms:65
Molecular Weight:897.027Rotatable Bonds:32
H-bond Acceptors:17H-bond Donors:10
logP:4.9046
Targets:
NameUniprot IDSourceReferencesInteraction
Endothelin-1 receptorEDNRA_MOUSEBindingDB-shows
Synonyms:
CHEBI:348767
CHEMBL444274