Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D03RLA
|
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| Former ID |
DNC001031
|
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| Drug Name |
Nogalamycin
|
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| Drug Type |
Small molecular drug
|
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| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C39H49NO16
|
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| Canonical SMILES |
CC1C(C(C(C(O1)OC2CC(C(C3=C2C(=C4C(=C3)C(=O)C5=C6C(=CC(=<br />C5C4=O)O)C7(C(C(C(C(O6)O7)O)N(C)C)O)C)O)C(=O)OC)(C)O)OC<br />)(C)OC)OC
|
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| InChI |
1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14?,19-,24-,25?,29?,31?,32?,33?,35?,36?,37-,38?,39?/m0/s1
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| InChIKey |
KGTDRFCXGRULNK-BHXCJFNLSA-N
|
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| CAS Number |
CAS 1404-15-5
|
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| ChEBI ID |
ChEBI:44504
|
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| Target and Pathway | |||||
| Target(s) | DNA | Target Info | Intercalator | [1] | |
| References | |||||
| REF 1 | Structure, dynamics and hydration of the nogalamycin-d(ATGCAT)2Complex determined by NMR and molecular dynamics simulations in solution. J Mol Biol. 1999 Jul 16;290(3):699-716. | ||||
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