Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D8VH5Q
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| Drug Name |
ML209
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| Synonyms |
CHEMBL2326408; 3-(1,3-Benzodioxol-5-yl)-1-(cis-3,5-dimethyl-1-piperidinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone; NCGC00238427-01; SCHEMBL14826293; BDBM50426366; AKOS032947172; NCGC00238427-02; 1-[(3S)-3beta,5beta-Dimethylpiperidino]-3-(1,3-benzodioxole-5-yl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
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| Drug Type |
Small molecular drug
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| Indication | Autoimmune disease [ICD-11: 4A40-4A45] | Preclinical | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C25H31NO6
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| Canonical SMILES |
CC1CC(CN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C
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| InChI |
1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15-,16+,19?
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| InChIKey |
YEKVAIMYYCZDLI-MCPYQZEQSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Nuclear receptor ROR-gamma (RORG) | Target Info | Agonist | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Circadian rhythm as a therapeutic target. Nat Rev Drug Discov. 2021 Apr;20(4):287-307. | |||
| REF 2 | ROR nuclear receptors: structures, related diseases, and drug discovery. Acta Pharmacol Sin. 2015 Jan;36(1):71-87. | |||
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