Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXP9BX
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| Drug Name |
5-Amino-2-((2S,3R)-2-amino-3-hydroxy-butyrylamino)-pentanoic acid [(3S,6R,9S,12R,15R,18R,21R)-6,9,18-tris-(3-amino-propyl)-15-benzyl-3-((R)-1-hydroxy-ethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19heptaaza-cyclotetracos-21-yl]-amide
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| Synonyms |
CHEMBL436786
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C48H84N14O11
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| Canonical SMILES |
CC(C)C[C@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN)NC(=O)[C@@H](CCCNC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCN)NC1=O)[C@@H](C)O)NC(=O)[C@H](CCCN)NC(=O)[C@@H](N)[C@@H](C)O
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| InChI |
InChI=1S/C48H84N14O11/c1-27(2)25-36-45(70)58-31(15-8-20-49)40(65)56-34(18-11-23-52)44(69)62-39(29(4)64)48(73)54-24-12-19-35(57-41(66)33(17-10-22-51)59-47(72)38(53)28(3)63)42(67)55-32(16-9-21-50)43(68)61-37(46(71)60-36)26-30-13-6-5-7-14-30/h5-7,13-14,27-29,31-39,63-64H,8-12,15-26,49-53H2,1-4H3,(H,54,73)(H,55,67)(H,56,65)(H,57,66)(H,58,70)(H,59,72)(H,60,71)(H,61,68)(H,62,69)/t28-,29-,31+,32-,33+,34-,35-,36-,37-,38+,39+/m1/s1
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| InChIKey |
ONDCXJNOZQVWMH-CKQIFGQUSA-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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