Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05QYR
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| Former ID |
DIB018740
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| Drug Name |
AC55649
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| Synonyms |
AC 55649; AC-55649
Click to Show/Hide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C21H26O2
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| Canonical SMILES |
CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
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| InChI |
1S/C21H26O2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)19-13-15-20(16-14-19)21(22)23/h9-16H,2-8H2,1H3,(H,22,23)
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| InChIKey |
HXBKPYIEQLLNBK-UHFFFAOYSA-N
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| CAS Number |
CAS 59662-49-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
3323543, 4042095, 5128360, 8066852, 9119788, 16653563, 24724405, 26754515, 29215542, 29215543, 40891396, 48495212, 52389435, 85787658, 87245873, 88873338, 90341839, 103472892, 106030295, 110607721, 117427188, 121361924, 124572623, 125353978, 126613138, 128125521, 131320279, 134964453, 135697979, 136907299, 139156718, 143433605, 152247146, 162023420, 162247284, 162546222, 163362285, 163565193, 164830756, 169445887, 172845698, 175612743, 178100879, 179694555, 184581610, 184694883, 202555233, 224290266, 229137031, 251875152
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| ChEBI ID |
CHEBI:95048
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Retinoic acid receptor beta (RARB) | Target Info | Agonist | [2] |
| KEGG Pathway | Pathways in cancer | |||
| Small cell lung cancer | ||||
| Non-small cell lung cancer | ||||
| Reactome | Nuclear Receptor transcription pathway | |||
| WikiPathways | Vitamin A and Carotenoid Metabolism | |||
| Nuclear Receptors in Lipid Metabolism and Toxicity | ||||
| Mesodermal Commitment Pathway | ||||
| Integrated Pancreatic Cancer Pathway | ||||
| 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: 4055). | |||
| REF 2 | Discovery of a potent, orally available, and isoform-selective retinoic acid beta2 receptor agonist. J Med Chem. 2005 Dec 1;48(24):7517-9. | |||
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