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Name:CHEMBL332756
PubChem ID:11599989
Pathway:Show KEGG pathways
InChI:InChI=1S/C36H49N5O7/c1-36-14-13-24-23-12-10-22(42)15-20(23)9-11-25(24)26(36)16-21(32(36)46)7-5-3-2-4-6-8-28(43)47-17-27-30(44)31(45)35(48-27)41-19-40-29-33(37)38-18-39-34(29)41/h10,12,15,18-19,21,24-27,30-32,35,42,44-46H,2-9,11,13-14,16-17H2,1H3,(H2,37,38,39)/t21-,24?,25?,26?,27+,30+,31+,32-,35+,36-/m0/s1
SMILES:O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCCCCCC[C@H]1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O

Properties:
Formula:C36H49N5O7Atoms:48
Molecular Weight:663.804Rotatable Bonds:12
H-bond Acceptors:12H-bond Donors:5
logP:4.7317
Targets:
NameUniprot IDSourceReferencesInteraction
Estradiol 17-beta-dehydrogenase 1DHB1_HUMANBindingDB-shows
Synonyms:
CHEBI:431645
CHEMBL332756
CID 11599989
CID11599989