Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0P9KL
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| Former ID |
DCL000655
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| Drug Name |
TAK-683
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| Synonyms |
(5S)-6-[6-[(1E,3R,5Z)-3-Hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol; U 75302; U-75302; 119477-85-9; (5S)-6-[6-[(1E,3R,5Z)-3-hydroxyundeca-1,5-dienyl]pyridin-2-yl]hexane-1,5-diol; 6-(6-(3-Hydroxy-1,5-undecadien-1-yl)-2-pyridinyl)-1,5-hexanediol; U75302; AC1O6A9C; SCHEMBL1894359; GTPL3325; ZINC4489632; SR-01000946976; SR-01000946976-1; 1,5-Hexanediol, 6-(6-(3-hydroxy-1,5-undecadienyl)-2-pyridinyl)-,
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| Drug Type |
Small molecular drug
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| Indication | Prostate cancer [ICD-11: 2C82.0; ICD-10: C61; ICD-9: 185] | Discontinued in Phase 1 | [1] | |
| Allergy [ICD-11: 4A80-4A85; ICD-10: T78.4; ICD-9: 995.3] | Terminated | [2], [3] | ||
| Company |
Takeda
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| Structure |
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Download2D MOL
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| Formula |
C64H83N17O13
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CCCNC(=NC)N)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)NNC(=O)C(CC3=CC=CC=C3)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C
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| InChI |
1S/C64H83N17O13/c1-34(2)26-48(57(88)73-46(20-13-25-69-63(67)68-5)56(87)74-47(55(66)86)29-39-32-70-44-18-11-9-16-42(39)44)78-64(94)81-80-61(92)50(27-37-14-7-6-8-15-37)77-62(93)54(35(3)82)79-60(91)52(31-53(65)85)76-59(90)51(30-40-33-71-45-19-12-10-17-43(40)45)75-58(89)49(72-36(4)83)28-38-21-23-41(84)24-22-38/h6-12,14-19,21-24,32-35,46-52,54,70-71,82,84H,13,20,25-31H2,1-5H3,(H2,65,85)(H2,66,86)(H,72,83)(H,73,88)(H,74,87)(H,75,89)(H,76,90)(H,77,93)(H,79,91)(H,80,92)(H3,67,68,69)(H2,78,81,94)/t35-,46+,47+,48+,49-,50+,51-,52+,54+/m1/s1
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| InChIKey |
BDPDXFSIFWZPCE-PHOVXGMNSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | G-protein coupled receptor 54 (KISS1R) | Target Info | Agonist | [4], [5] |
| Leukotriene B4 receptor 1 (LTB4R) | Target Info | Antagonist | [6] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| NetPath Pathway | IL4 Signaling Pathway | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| Leukotriene receptors | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| Nucleotide GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Spinal Cord Injury | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800028256) | |||
| REF 2 | 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: 3325). | |||
| REF 3 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000072) | |||
| REF 4 | Clinical pipeline report, company report or official report of Takeda (2009). | |||
| REF 5 | The efficacy and tolerability of two novel H(1)/H(3) receptor antagonists in seasonal allergic rhinitis. Int Arch Allergy Immunol. 2012;158(1):84-98. | |||
| REF 6 | A second leukotriene B(4) receptor, BLT2. A new therapeutic target in inflammation and immunological disorders. J Exp Med. 2000 Aug 7;192(3):421-32. | |||
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