Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R2TM
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| Former ID |
DNC003686
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| Drug Name |
BALANOL
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| Synonyms |
balanol; 63590-19-2; Azepinostatin; CHEMBL60254; Balanol, 1; 2-[2,6-dihydroxy-4-[(3R,4R)-3-[(4-hydroxybenzoyl)amino]azepan-4-yl]oxycarbonylbenzoyl]-3-hydroxybenzoic acid; BA1; (-)-Balanol; (3R-trans)-Balanol; AC1NRA6W; SCHEMBL62128; MEGxm0_000504; GTPL8142; BDBM3149; Acyclic Balanol Analog (-)-1; BDBM36607; ACon0_001438; ZINC3871640; MCULE-9310625171; 167937-47-5; FT-0662471; 33879-EP2275420A1; 33879-EP2295416A2; 33879-EP2295055A2; 33879-EP2311453A1; 33879-EP2305642A2; 33879-EP2298764A1; 33879-EP2298765A1; 33879-EP2298748A2
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| Drug Type |
Small molecular drug
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| Structure |
 |
Download2D MOL |
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| Formula |
C28H26N2O10
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| Canonical SMILES |
C1CC(C(CNC1)NC(=O)C2=CC=C(C=C2)O)OC(=O)C3=CC(=C(C(=C3)O)C(=O)C4=C(C=CC=C4O)C(=O)O)O
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| InChI |
1S/C28H26N2O10/c31-16-8-6-14(7-9-16)26(36)30-18-13-29-10-2-5-22(18)40-28(39)15-11-20(33)24(21(34)12-15)25(35)23-17(27(37)38)3-1-4-19(23)32/h1,3-4,6-9,11-12,18,22,29,31-34H,2,5,10,13H2,(H,30,36)(H,37,38)/t18-,22-/m1/s1
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| InChIKey |
XYUFCXJZFZPEJD-XMSQKQJNSA-N
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| CAS Number |
CAS 63590-19-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
7886051, 8032894, 11041327, 14763739, 14837260, 39320290, 48110651, 48334706, 50715651, 87544375, 87544377, 103252142, 113870323, 118043174, 127319915, 127319916, 127319917, 127319918, 127319919, 127319920, 127319921, 127319922, 134340891, 137252596, 162255238, 179247016, 226443673, 241113714, 249565822, 252345375
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | Joys of molecules. 2. Endeavors in chemical biology and medicinal chemistry. J Med Chem. 2005 Sep 8;48(18):5613-38. Address; | |||
| REF 2 | Synthesis and protein kinase C inhibitory activities of acyclic balanol analogs that are highly selective for protein kinase C over protein kinase A. J Med Chem. 1996 Dec 20;39(26):5215-27. | |||
| REF 3 | Evaluation of differential hypoxic cytotoxicity and electrochemical studies of nitro 5-deazaflavins, Bioorg. Med. Chem. Lett. 5(18):2155-2160 (1995). | |||
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