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Name:CHEMBL198558
PubChem ID:11721794
Pathway:Show KEGG pathways
InChI:InChI=1S/C40H57N5O7/c1-40-18-17-28-27-16-14-26(46)19-24(27)13-15-29(28)30(40)20-25(36(40)50)11-9-7-5-3-2-4-6-8-10-12-32(47)51-21-31-34(48)35(49)39(52-31)45-23-44-33-37(41)42-22-43-38(33)45/h14,16,19,22-23,25,28-31,34-36,39,46,48-50H,2-13,15,17-18,20-21H2,1H3,(H2,41,42,43)/t25-,28?,29?,30?,31+,34+,35+,36-,39+,40-/m0/s1
SMILES:O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCCCCCCCCCC[C@H]1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O

Properties:
Formula:C40H57N5O7Atoms:52
Molecular Weight:719.91Rotatable Bonds:16
H-bond Acceptors:12H-bond Donors:5
logP:6.2921
Targets:
NameUniprot IDSourceReferencesInteraction
Estradiol 17-beta-dehydrogenase 1DHB1_HUMANBindingDB-shows
Synonyms:
CHEBI:431872
CHEMBL198558
CID 11721794
CID11721794