Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D02EMH
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| Former ID |
DIB018803
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| Drug Name |
all-trans-4-oxo-retinoic acid
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| Synonyms |
4-oxoretinoic acid; Ro 12-4824
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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 |
C20H26O3
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| Canonical SMILES |
CC1=C(C(CCC1=O)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
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| InChI |
1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-17-16(3)18(21)11-12-20(17,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
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| InChIKey |
GGCUJPCCTQNTJF-FRCNGJHJSA-N
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| CAS Number |
CAS 38030-57-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:80656
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor alpha-2C (ADRA2C) | Target Info | Antagonist | [2] |
| RAR-related orphan receptor-beta (RORB) | Target Info | Antagonist | [3] | |
| KEGG Pathway | cGMP-PKG signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Panther Pathway | Alpha adrenergic receptor signaling pathway | |||
| Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | ||||
| Reactome | Adrenoceptors | |||
| Adrenaline signalling through Alpha-2 adrenergic receptor | ||||
| Adrenaline,noradrenaline inhibits insulin secretion | ||||
| G alpha (i) signalling events | ||||
| G alpha (z) signalling events | ||||
| Surfactant metabolism | ||||
| WikiPathways | Monoamine GPCRs | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Platelet Aggregation (Plug Formation) | ||||
| Integration of energy metabolism | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 2741). | |||
| REF 2 | Discovery of new tetracyclic tetrahydrofuran derivatives as potential broad-spectrum psychotropic agents. J Med Chem. 2005 Mar 24;48(6):1709-12. | |||
| REF 3 | All-trans retinoic acid is a ligand for the orphan nuclear receptor ROR beta. Nat Struct Biol. 2003 Oct;10(10):820-5. | |||
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