Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05SCE
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| Former ID |
DNC005679
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| Drug Name |
CDDO
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| Synonyms |
Bardoxolone; CDDO; 218600-44-3; RTA-401; 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oic acid; UNII-7HT68L8941; RTA 401; 7HT68L8941; (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid; C31H41NO4; 2-Cyano-3,12-dioxooleana-1,9-dien-28-oic acid; RTA 402; CCDO;(4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid; NSC711193; bardoxolone RTA 401
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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 |
C31H41NO4
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| Canonical SMILES |
CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)O)C
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| InChI |
1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1
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| InChIKey |
TXGZJQLMVSIZEI-UQMAOPSPSA-N
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| CAS Number |
CAS 218600-44-3
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Nitric-oxide synthase inducible (NOS2) | Target Info | Inhibitor | [2] |
| BioCyc | Citrulline-nitric oxide cycle | |||
| KEGG Pathway | Arginine biosynthesis | |||
| Arginine and proline metabolism | ||||
| Metabolic pathways | ||||
| Calcium signaling pathway | ||||
| HIF-1 signaling pathway | ||||
| Peroxisome | ||||
| Salmonella infection | ||||
| Pertussis | ||||
| Leishmaniasis | ||||
| Chagas disease (American trypanosomiasis) | ||||
| Toxoplasmosis | ||||
| Amoebiasis | ||||
| Tuberculosis | ||||
| Pathways in cancer | ||||
| Small cell lung cancer | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Pathway Interaction Database | IL12-mediated signaling events | |||
| Alpha9 beta1 integrin signaling events | ||||
| ATF-2 transcription factor network | ||||
| IL23-mediated signaling events | ||||
| Signaling mediated by p38-alpha and p38-beta | ||||
| HIF-1-alpha transcription factor network | ||||
| Reactome | ROS production in response to bacteria | |||
| Nitric oxide stimulates guanylate cyclase | ||||
| WikiPathways | Type II interferon signaling (IFNG) | |||
| Spinal Cord Injury | ||||
| AGE/RAGE pathway | ||||
| Effects of Nitric Oxide | ||||
| 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: 2717). | |||
| REF 2 | Studies on the reactivity of CDDO, a promising new chemopreventive and chemotherapeutic agent: implications for a molecular mechanism of action. Bioorg Med Chem Lett. 2005 May 2;15(9):2215-9. | |||
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