Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0H3EJ
|
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| Former ID |
DNC005409
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| Drug Name |
Carbocyclic Peptidomimetic
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent | Investigative | [527675] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C43H66N8O14
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| Canonical SMILES |
CC(C)CC(C(C1CCCC1C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC2<br />=CC=CC=C2)C(=O)O)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)<br />C(CCC(=O)O)N
|
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| InChI |
1S/C43H66N8O14/c1-21(2)18-29(48-41(62)30(20-32(45)52)49-42(63)35(22(3)4)51-39(60)27(44)14-16-33(53)54)36(57)25-12-9-13-26(25)38(59)46-23(5)37(58)47-28(15-17-34(55)56)40(61)50-31(43(64)65)19-24-10-7-6-8-11-24/h6-8,10-11,21-23,25-31,35-36,57H,9,12-20,44H2,1-5H3,(H2,45,52)(H,46,59)(H,47,58)(H,48,62)(H,49,63)(H,50,61)(H,51,60)(H,53,54)(H,55,56)(H,64,65)/t23-,25+,26+,27-,28-,29-,30-,31-,35-,36-/m0/s1
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| InChIKey |
SEJYUEISOCTKKB-SABPYFDQSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Cathepsin D | Target Info | Inhibitor | [527675] | |
| Beta-secretase | Target Info | Inhibitor | [527675] | ||
| BioCyc Pathway | Thyroid hormone biosynthesis | ||||
| NetPath Pathway | IL2 Signaling Pathway | ||||
| Pathway Interaction Database | LKB1 signaling events | ||||
| Ceramide signaling pathway | |||||
| Direct p53 effectors | |||||
| Validated nuclear estrogen receptor alpha network | |||||
| References | |||||
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