Drug Details

Name:

CHEMBL382114

PubChem ID:

44405125

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C39H55N5O7/c1-39-17-16-27-26-15-13-25(45)18-23(26)12-14-28(27)29(39)19-24(35(39)49)10-8-6-4-2-3-5-7-9-11-31(46)50-20-30-33(47)34(48)38(51-30)44-22-43-32-36(40)41-21-42-37(32)44/h13,15,18,21-22,24,27-30,33-35,38,45,47-49H,2-12,14,16-17,19-20H2,1H3,(H2,40,41,42)/t24?,27?,28?,29?,30-,33-,34-,35+,38-,39+/m1/s1

SMILES:

O=C(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CCCCCCCCCCC1C[C@@H]2[C@]([C@H]1O)(C)CC[C@H]1[C@H]2CCc2c1ccc(c2)O

Properties:

Formula:	C39H55N5O7	Atoms:	51
Molecular Weight:	705.883	Rotatable Bonds:	15
H-bond Acceptors:	12	H-bond Donors:	5
logP:	5.902

Targets:

Name	Uniprot ID	Source	References	Interaction
Estradiol 17-beta-dehydrogenase 1	DHB1_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:431856

CHEMBL382114

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