Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0R7QY
|
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| Former ID |
DNC003634
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| Drug Name |
EMATE
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [528905] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C18H23NO4S
|
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| Canonical SMILES |
CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N
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| InChI |
1S/C18H23NO4S/c1-18-9-8-14-13-5-3-12(23-24(19,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16H,2,4,6-9H2,1H3,(H2,19,21,22)/t14-,15-,16+,18+/m1/s1
|
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| InChIKey |
RVKFQAJIXCZXQY-CBZIJGRNSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Carbonic anhydrase II | Target Info | Inhibitor | [528582] | |
| Steryl-sulfatase | Target Info | Inhibitor | [528905] | ||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| EGFR1 Signaling Pathway | |||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| References | |||||
| Ref 528582 | J Med Chem. 2006 Dec 28;49(26):7683-96.2-substituted estradiol bis-sulfamates, multitargeted antitumor agents: synthesis, in vitro SAR, protein crystallography, and in vivo activity. | ||||
| Ref 528905 | J Med Chem. 2007 Jul 26;50(15):3661-6. Epub 2007 Jun 20.Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase. | ||||
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