Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0ZB7Z
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| Former ID |
DIB021231
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| Drug Name |
XCT790
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| Synonyms |
XCT 790; XCT-790
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL
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| Formula |
C23H13F9N4O3S
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| Canonical SMILES |
COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NN=C(S2)C(F)(F)F)OCC3=C(C=C(C=C3)C(F)(F)F)C(F)(F)F
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| InChI |
1S/C23H13F9N4O3S/c1-38-17-7-11(6-13(9-33)18(37)34-20-36-35-19(40-20)23(30,31)32)2-5-16(17)39-10-12-3-4-14(21(24,25)26)8-15(12)22(27,28)29/h2-8H,10H2,1H3,(H,34,36,37)/b13-6+
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| InChIKey |
HQFNFOOGGLSBBT-AWNIVKPZSA-N
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| CAS Number |
CAS 725247-18-7
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| PubChem Compound ID | ||||
| PubChem Substance ID |
12015852, 15013052, 17195093, 17396631, 24724669, 29217710, 43530151, 47288892, 53788748, 57372023, 74959514, 85844594, 90341312, 103456869, 104043200, 114788553, 121362032, 135277320, 135651333, 162248128, 163565217, 172919889, 175426335, 175612761, 204356778, 210274684, 210280317, 223400858, 223445168, 241376711, 242060102, 249618023, 252157643, 252160933, 252554221
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| ChEBI ID |
CHEBI:79999
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Estrogen-related receptor-alpha (ESRRA) | Target Info | Antagonist | [2] |
| Reactome | PPARA activates gene expression | |||
| Transcriptional activation of mitochondrial biogenesis | ||||
| Nuclear Receptor transcription pathway | ||||
| WikiPathways | Mitochondrial Gene Expression | |||
| Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha) | ||||
| Nuclear Receptors | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2832). | |||
| REF 2 | Regulation of PPARgamma coactivator 1alpha (PGC-1alpha) signaling by an estrogen-related receptor alpha (ERRalpha) ligand. Proc Natl Acad Sci U S A. 2004 Jun 15;101(24):8912-7. | |||
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