Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| 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 [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C33H31N3O9S
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| Canonical SMILES |
CC1=C(C=C2C(=C1O)C(=O)C3=C(C4=C(C5=C(C(=C(C=C5CC4)C=NNC(=S)NC6CCCCC6)C(=O)O)O)C(=C3C2=O)O)OC)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/h10-12,16,37-38,40-41H,3-9H2,1-2H3,(H,43,44)(H2,35,36,46)/b34-12+
|
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| InChIKey |
FVWBMJCLBWIYFZ-PONZDJLKSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Steryl-sulfatase (STS) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | |||
| Reactome | Glycosphingolipid metabolism | |||
| WikiPathways | Estrogen metabolism | |||
| Vitamin D Receptor Pathway | ||||
| Sphingolipid metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Thiosemicarbazones of formyl benzoic acids as novel potent inhibitors of estrone sulfatase. J Med Chem. 2007 Jul 26;50(15):3661-6. | |||
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