Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0H1TA
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| Former ID |
DIB004583
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| Drug Name |
EK-399
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| Synonyms |
ek-399; AC1L2RJX; AC1Q5SZK; Ekk-399; (2r)-n-(2-{[(2s)-1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl](ethyl)amino}-2-oxoethyl)-2-{[(2s)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino}-4-(methylsulfinyl)butanamide acetate(1:1)(non-preferred name); Tyr-met(O)-gly-etphe-nhnhcoch3; 98849-86-6; Tyrosyl-methionyl(O)-glycyl-ethylphenylalanine-2-acetylhydrazide; L-Phenylalanine, L-tyrosyl-4-(methylsulfinyl)-D-2-aminobutanoylglycyl-N-ethyl-, 2-acetylhydrazide, monoacetate (salt)
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| Drug Type |
Small molecular drug
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| Indication | Inflammation [ICD-11: 1A00-CA43.1] | Terminated | [1] | |
| Company |
Takeda Pharmaceutical Co Ltd
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| Structure |
 |
Download2D MOL |
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| Formula |
C31H44N6O9S
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| Canonical SMILES |
CCN(C(CC1=CC=CC=C1)C(=O)NNC(=O)C)C(=O)CNC(=O)C(CCS(=O)C)NC(=O)C(CC2=CC=C(C=C2)O)N.CC(=O)O
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| InChI |
1S/C29H40N6O7S.C2H4O2/c1-4-35(25(29(41)34-33-19(2)36)17-20-8-6-5-7-9-20)26(38)18-31-28(40)24(14-15-43(3)42)32-27(39)23(30)16-21-10-12-22(37)13-11-21;1-2(3)4/h5-13,23-25,37H,4,14-18,30H2,1-3H3,(H,31,40)(H,32,39)(H,33,36)(H,34,41);1H3,(H,3,4)/t23-,24+,25-,43?;/m0./s1
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| InChIKey |
NOOIAQHTLKMMAW-VQCKKKRLSA-N
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| CAS Number |
CAS 98849-86-6
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor (OPR) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004080) | |||
| REF 2 | Evaluation of the discriminative stimulus effect of an enkephalin analog, EK-399, in the rat. Nihon Yakurigaku Zasshi. 1991 Jun;97(6):361-9. | |||
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