Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0PR9E
|
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| Former ID |
DNC006484
|
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| Drug Name |
KMI-596
|
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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 |
C34H45N7O9
|
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(C(=O)NC2=CC=CC(=C2)C3=NOC(=O)N3)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N
|
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| InChI |
1S/C34H45N7O9/c1-18(2)15-25(38-32(47)27(19(3)4)39-30(45)23(35)13-14-26(42)43)31(46)37-24(16-20-9-6-5-7-10-20)28(44)33(48)36-22-12-8-11-21(17-22)29-40-34(49)50-41-29/h5-12,17-19,23-25,27-28,44H,13-16,35H2,1-4H3,(H,36,48)(H,37,46)(H,38,47)(H,39,45)(H,42,43)(H,40,41,49)/t23-,24-,25-,27-,28+/m0/s1
|
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| InChIKey |
WXPDDAQNFBWSRN-WZFFGLSISA-N
|
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Beta-secretase (BACE) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Design of pentapeptidic BACE1 inhibitors with carboxylic acid bioisosteres at P1' and P4 positions. Bioorg Med Chem. 2010 May 1;18(9):3175-86. | |||
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