Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0SK3V
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| Drug Name |
US9598431, 3
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| Synonyms |
SCHEMBL18580158; BDBM302860; (2S)-1-(3-Thienyl)propan-2-ol; US9598431, 3
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C28H32F3N5O4S2
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| Canonical SMILES |
CCS(=O)(=O)C1=CN=C(C=C1)CNC(=O)C2=CC3=C(S2)C4(CCN(CC4)C(C)C5=CN=C(N=C5)C(F)(F)F)OC(C3)C
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| InChI |
1S/C28H32F3N5O4S2/c1-4-42(38,39)22-6-5-21(32-16-22)15-33-25(37)23-12-19-11-17(2)40-27(24(19)41-23)7-9-36(10-8-27)18(3)20-13-34-26(35-14-20)28(29,30)31/h5-6,12-14,16-18H,4,7-11,15H2,1-3H3,(H,33,37)/t17-,18+/m0/s1
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| InChIKey |
ILXLMNLDODDHOQ-ZWKOTPCHSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Nuclear receptor ROR-alpha (RORA) | Target Info | Inhibitor | [1] |
| Target's Patent Info | Nuclear receptor ROR-alpha (RORA) | Target's Patent Info | [1] | |
| KEGG Pathway | Circadian rhythm | |||
| Inflammatory bowel disease (IBD) | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Reactome | RORA activates gene expression | |||
| BMAL1:CLOCK,NPAS2 activates circadian gene expression | ||||
| PPARA activates gene expression | ||||
| Nuclear Receptor transcription pathway | ||||
| Circadian Clock | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
| Adipogenesis | ||||
| Circadian Clock | ||||
| Nuclear Receptors | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Compounds useful for inhibiting ROR-gamma-t. US9598431. | |||
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