Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0D9NZ
|
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| Former ID |
DNC000934
|
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| Drug Name |
Methoxyestradiol
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Phase 2 | [522202] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C51H79NO13
|
||||
| Canonical SMILES |
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C<br />3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)<br />C)C)C)OC
|
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| InChI |
1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33?,34-,36-,37-,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
|
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| InChIKey |
QFJCIRLUMZQUOT-MTKXUJSSSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Superoxide dismutase [Cu-Zn] | Target Info | Inhibitor | [535595] | |
| BioCyc Pathway | Reactive oxygen species degradation | ||||
| NetPath Pathway | TCR Signaling Pathway | ||||
| Pathway Interaction Database | Validated nuclear estrogen receptor alpha network | ||||
| FOXA1 transcription factor network | |||||
| PathWhiz Pathway | Degradation of Superoxides | ||||
| References | |||||
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