Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0G6JM
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| Former ID |
DNC002541
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| Drug Name |
TTNPB
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| Synonyms |
Arotinoid acid; 71441-28-6; Arotinoic acid; Ro 13-7410; CCRIS 3297; UNII-673M8C29UR; 4-[(E)-2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]benzoic acid; Tocris-0761; Lopac-T-3757; TTNPB (Arotinoid Acid); BRN 2008247; CHEMBL275311; CHEBI:75261; 673M8C29UR; 4-(2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl)benzoic acid; (E)-4-(2-(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propen-1-yl)benzoic acid
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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 |
C24H28O2
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| Canonical SMILES |
CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
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| InChI |
1S/C24H28O2/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-20-21(15-19)24(4,5)13-12-23(20,2)3/h6-11,14-15H,12-13H2,1-5H3,(H,25,26)/b16-14+
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| InChIKey |
FOIVPCKZDPCJJY-JQIJEIRASA-N
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| CAS Number |
CAS 71441-28-6
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7890900, 11041567, 11111877, 11113689, 14778420, 17396624, 17405732, 24278733, 26751878, 26751879, 26751880, 26751881, 26759668, 39321681, 46393539, 46507753, 47290883, 47959462, 48034837, 48110197, 49888253, 50104564, 50104565, 50104566, 50483353, 53778282, 53788960, 56463204, 57359279, 85231254, 85787706, 90341737, 91722497, 92303303, 92309948, 99300861, 99302380, 103174096, 103940769, 104046498, 113874477, 121361997, 124750294, 124800121, 124881628, 124881629, 124881630, 124881631, 124881632, 124881633
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| ChEBI ID |
CHEBI:75261
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Retinoic acid receptor beta (RARB) | Target Info | Inhibitor | [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: 2646). | |||
| REF 2 | 9-cis-retinoic acid analogues with bulky hydrophobic rings: new RXR-selective agonists. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6117-22. | |||
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