Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0FT9P
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| Former ID |
DNC001407
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| Drug Name |
Talisomycin
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| Synonyms |
Talisomycin; Tallysomycin A; Antibiotic BU 2231A; Talisomycin [USAN:INN]; Talisomycinum [INN-Latin]; Talisomycine [INN-French]; Talisomycina [INN-Spanish]; BU 2231A; AC1Q5FXD; AC1L2HKD; N(sup 1)-(4-Amino-5-((3-((4-aminobutyl)amino)propyl)carbamoyl)pentyl)-13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-12-hydroxybleomycinamide; Bleomycinamide, N(sup 1)-(4-amino-6-((3-((4-aminobutyl)amino)propyl)amino)-6-oxohexyl)-13-((4-amino-4,6-dideoxy-alpha-L-talopyranosyl)oxy)-19-demethyl-12-hydroxy-
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| Drug Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C68H110N22O27S2
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| Canonical SMILES |
CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCC(CC(=O)NCCCNCCCCN)N)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N
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| InChI |
1S/C68H110N22O27S2/c1-25-42(87-57(89-55(25)74)31(16-38(72)95)81-18-30(71)56(75)105)59(107)88-44(52(32-19-78-24-82-32)114-67-54(48(101)45(98)36(20-91)113-67)115-66-50(103)53(116-68(76)110)46(99)37(21-92)112-66)61(109)83-26(2)35(94)17-40(97)86-43(27(3)93)60(108)90-62(117-65-49(102)47(100)41(73)28(4)111-65)51(104)64-85-34(23-119-64)63-84-33(22-118-63)58(106)80-13-7-9-29(70)15-39(96)79-14-8-12-77-11-6-5-10-69/h19,22-24,26-31,35-37,41,43-54,62,65-67,77,81,91-94,98-104H,5-18,20-21,69-71,73H2,1-4H3,(H2,72,95)(H2,75,105)(H2,76,110)(H,78,82)(H,79,96)(H,80,106)(H,83,109)(H,86,97)(H,88,107)(H,90,108)(H2,74,87,89)/t26?,27?,28-,29?,30?,31?,35?,36-,37+,41+,43?,44?,45+,46+,47+,48-,49+,50-,51?,52?,53-,54-,62?,65-,66+,67+/m0/s1
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| InChIKey |
VUPBDWQPEOWRQP-SDSCCWNESA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human Deoxyribonucleic acid (hDNA) | Target Info | Breaker | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Bleomycin and talisomycin sequence-specific strand scission of DNA: a mechanism of double-strand cleavage. Cancer Res. 1982 Jul;42(7):2779-85. | |||
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