Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0G1XC
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| Former ID |
DNC007542
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| Drug Name |
MHL cyclohexylthiosemicarbazone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [528905] | ||
| Formula |
C33H31N3O9S
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| Canonical SMILES |
CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C(=O)C4=C5C(=CC(=CNNC(=<br />S)NC6CCCCC6)C(=C5O)C(=O)O)CCC4=C3OC)O
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| InChI |
1S/C33H31N3O9S/c1-13-19(37)11-18-23(26(13)38)30(42)25-24(27(18)39)29(41)22-17(31(25)45-2)9-8-14-10-15(21(32(43)44)28(40)20(14)22)12-34-36-33(46)35-16-6-4-3-5-7-16/h10-12,16,34,37-38,40H,3-9H2,1-2H3,(H,43,44)(H2,35,36,46)/b15-12+
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| InChIKey |
VJJLRJIHTUTOTH-NTCAYCPXSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Steryl-sulfatase | Target Info | Inhibitor | [528905] | |
| KEGG Pathway | Steroid hormone biosynthesis | ||||
| PathWhiz Pathway | Androgen and Estrogen Metabolism | ||||
| Reactome | Glycosphingolipid metabolism | ||||
| References | |||||