Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K2CR
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| Former ID |
DIB015003
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| Drug Name |
Nemorubicin
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| Synonyms |
Nemorubicinol; FCE-23762; PNU-152243; PNU-156685; PNU-156686; PNU-159682
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| Drug Type |
Small molecular drug
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| Indication | Solid tumour/cancer [ICD-11: 2A00-2F9Z; ICD-10: C00-D48; ICD-9: 140-199, 210-229] | Preclinical | [1] | |
| Company |
Pharmacia & Upjohn AB
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| Structure |
 |
Download2D MOL |
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| Formula |
C32H37NO13
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| Canonical SMILES |
CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O
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| InChI |
1S/C32H37NO13/c1-14-27(36)17(33-7-8-44-22(12-33)43-3)9-21(45-14)46-19-11-32(41,20(35)13-34)10-16-24(19)31(40)26-25(29(16)38)28(37)15-5-4-6-18(42-2)23(15)30(26)39/h4-6,14,17,19,21-22,27,34,36,38,40-41H,7-13H2,1-3H3/t14-,17-,19-,21-,22-,27+,32-/m0/s1
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| InChIKey |
CTMCWCONSULRHO-UHQPFXKFSA-N
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| CAS Number |
CAS 108852-90-0
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:42053
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | DNA topoisomerase II (TOP2) | Target Info | Modulator | [2] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800012041) | |||
| REF 2 | The interaction of nemorubicin metabolite PNU-159682 with DNA fragments d(CGTACG)(2), d(CGATCG)(2) and d(CGCGCG)(2) shows a strong but reversible binding to G:C base pairs. Bioorg Med Chem. 2012 Dec 15;20(24):6979-88. | |||
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