Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX3TVV
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| Drug Name |
geldanamycin-estradiol hybrid
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| Synonyms |
CHEMBL1628157
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C50H67N3O10
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| Canonical SMILES |
CO[C@@H]1C[C@@H](C)CC2=C(NC\\C=C\\C[C@@H]3C[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@]4(C)[C@H]3O)C(=O)C=C(NC(=O)\\C(=C\\C=C/[C@@H](OC)[C@H](OC(=O)N)\\C(=C\\[C@@H](C)[C@@H]1O)\\C)\\C)C2=O
|
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| InChI |
InChI=1S/C50H67N3O10/c1-27-21-37-43(52-20-9-8-12-32-25-38-36-16-14-31-24-33(54)15-17-34(31)35(36)18-19-50(38,5)47(32)58)40(55)26-39(45(37)57)53-48(59)28(2)11-10-13-41(61-6)46(63-49(51)60)30(4)23-29(3)44(56)42(22-27)62-7/h8-11,13,15,17,23-24,26-27,29,32,35-36,38,41-42,44,46-47,52,54,56,58H,12,14,16,18-22,25H2,1-7H3,(H2,51,60)(H,53,59)/b9-8+,13-10-,28-11+,30-23+/t27-,29+,32+,35+,36+,38-,41+,42+,44-,46+,47-,50-/m0/s1
|
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| InChIKey |
FTLXEEZMWYOWNE-RBCKXDFESA-N
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| Target and Pathway | |||||
| Target(s) | Estrogen receptor beta | Target Info | [1587926] | ||
| Estrogen receptor | Target Info | [1587926] | |||
| Pathway Interaction Database | Plasma membrane estrogen receptor signaling | ||||
| Validated nuclear estrogen receptor beta network | |||||
| Validated nuclear estrogen receptor alpha networksmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling | |||||
| Signaling events mediated by HDAC Class II | |||||
| LKB1 signaling events | |||||
| Regulation of Telomerase | |||||
| ATF-2 transcription factor network | |||||
| AP-1 transcription factor network | |||||
| FOXM1 transcription factor network | |||||
| Validated nuclear estrogen receptor alpha network | |||||
| Signaling mediated by p38-alpha and p38-beta | |||||
| FOXA1 transcription factor network | |||||
| WikiPathways | SIDS Susceptibility Pathways | ||||
| Ovarian Infertility Genes | |||||
| Integrated Pancreatic Cancer Pathway | |||||
| Nuclear ReceptorsWP712:Estrogen signaling pathway | |||||
| Nuclear Receptors Meta-Pathway | |||||
| Estrogen Receptor Pathway | |||||
| Signaling by ERBB4 | |||||
| JAK/STAT | |||||
| Leptin signaling pathway | |||||
| miR-targeted genes in muscle cell - TarBase | |||||
| Integrated Breast Cancer Pathway | |||||
| Nuclear Receptors | |||||
| References | |||||
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