Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H6AG
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| Former ID |
DIB018011
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| Drug Name |
PMID23981898C11d
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| Synonyms |
GTPL6946; BDBM50440419
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| Drug Type |
Small molecular drug
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| Indication | Cardiovascular disease [ICD-11: BA00-BE2Z; ICD-10: I00-I99] | Clinical trial | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C27H36F4N2O4S
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| Canonical SMILES |
CC(C)(C)C1=CC=CC(=C1)CNC2CS(=O)CC(C2O)CC3=CC(=C(C(=C3)F)N)OC(COC)C(F)(F)F
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| InChI |
1S/C27H36F4N2O4S/c1-26(2,3)19-7-5-6-16(9-19)12-33-21-15-38(35)14-18(25(21)34)8-17-10-20(28)24(32)22(11-17)37-23(13-36-4)27(29,30)31/h5-7,9-11,18,21,23,25,33-34H,8,12-15,32H2,1-4H3/t18-,21+,23-,25+,38-/m1/s1
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| InChIKey |
FIUDDEQHPBHZBI-XPLIUGCLSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-secretase (BACE) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Discovery of cyclic sulfoxide hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides. Bioorg Med Chem Lett. 2013 Oct 1;23(19):5300-6. | |||
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