Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0W5CR
|
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| Former ID |
DNC003340
|
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| Drug Name |
EM-1745
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C37H51N5O7
|
||||
| Canonical SMILES |
CC12CCC3C(C1CC(C2O)CCCCCCCCC(=O)OCC4C(C(C(O4)N5C=NC6=C5<br />N=CN=C6N)O)O)CCC7=C3C=CC(=C7)O
|
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| InChI |
1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22?,25-,26-,27+,28?,31?,32?,33+,36?,37+/m1/s1
|
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| InChIKey |
CKSDYJASHNGOOS-BOGYFGANSA-N
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Estradiol 17 beta-dehydrogenase 1 | Target Info | Inhibitor | [1] | |
| BioCyc Pathway | Superpathway of steroid hormone biosynthesis | ||||
| Estradiol biosynthesis I | |||||
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| Metabolic pathways | |||||
| Ovarian steroidogenesis | |||||
| NetPath Pathway | FSH Signaling Pathway | ||||
| PANTHER Pathway | Androgen/estrogene/progesterone biosynthesis | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | The canonical retinoid cycle in rods (twilight vision) | ||||
| WikiPathways | Steroid Biosynthesis | ||||
| Metabolism of steroid hormones and vitamin D | |||||
| Prostate Cancer | |||||
| References | |||||
| REF 1 | How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | ||||
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