Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0G3PI
|
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| Former ID |
DAP000275
|
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| Drug Name |
Alitretinoin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Kaposi sarcoma [ICD-11: 2B57; ICD-9: 176] | Approved | [1], [2] | |
| Therapeutic Class |
Anticancer Agents
|
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| Company |
Ligand Pharmaceuticals
|
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| Structure |
 |
Download2D MOL |
||
| Formula |
C20H28O2
|
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| Canonical SMILES |
CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C
|
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| InChI |
1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+
|
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| InChIKey |
SHGAZHPCJJPHSC-ZVCIMWCZSA-N
|
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| CAS Number |
CAS 5300-03-8
|
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| PubChem Compound ID | ||||
| PubChem Substance ID |
509159, 584816, 838980, 3718107, 7978614, 8026464, 10300319, 11528315, 12014910, 14898408, 17396485, 17396973, 17486479, 22391507, 24702085, 24899373, 25622044, 25641192, 26681478, 26718599, 26755227, 26755228, 26755229, 26755230, 36890827, 46507356, 47811003, 47885624, 47885625, 50087219, 50110876, 50110877, 50110878, 53790163, 53801213, 56310968, 56313931, 56313962, 57288659, 57404908, 57571034, 75174291, 85240518, 85279329, 85788016, 87219231, 90451653, 92309911, 99300825, 99302343
|
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| ChEBI ID |
CHEBI:50648
|
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| SuperDrug ATC ID |
D11AH04; L01XX22
|
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| SuperDrug CAS ID |
cas=005300038
|
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| 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: 2645). | |||
| REF 2 | Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77. | |||
| REF 3 | Retinoic acid receptors and retinoid X receptors: interactions with endogenous retinoic acids. Proc Natl Acad Sci U S A. 1993 Jan 1;90(1):30-4. | |||
| REF 4 | Targacept active conformation search: a new method for predicting the conformation of a ligand bound to its protein target. J Med Chem. 2004 Dec 30;47(27):6831-9. | |||
| REF 5 | Alitretinoin: a comprehensive review. Expert Opin Investig Drugs. 2008 Mar;17(3):437-43. | |||
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