Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03RLA
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| Former ID |
DNC001031
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| Drug Name |
Nogalamycin
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| Synonyms |
AC1MBPR2
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | 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=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)C(=O)OC)(C)O)OC)(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-JYOBTZKQSA-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 | Top | |||
|---|---|---|---|---|
| Target(s) | DNA topoisomerase I (TOP1) | Target Info | Intercalator | [1] |
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | DNA replication | |||
| Pathway Interaction Database | Caspase Cascade in Apoptosis | |||
| WikiPathways | Integrated Pancreatic Cancer Pathway | |||
| References | Top | |||
|---|---|---|---|---|
| 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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