small molecule

Edotecarin

Synonyms/Brands: ED-749, Edotecarina, Edotecarinum

Edotecarin is a novel, non-camptothecin, DNA topoisomerase I inhibitor. It is member of the class of compounds called indolocarbazoles.

Molecular Formula: C₂₉H₂₈N₄O₁₁

Molecular Weight:: 608.56

CAS:: 174402-32-5

InChiKey:: QMVPQBFHUJZJCS-NTKFZFFISA-N

InChi:: InChI=1S/C29H28N4O11/c34-7-10(8-35)31-33-27(42)20-18-13-3-1-11(37)5-15(13)30-22(18)23-19(21(20)28(33)43)14-4-2-12(38)6-16(14)32(23)29-26(41)25(40)24(39)17(9-36)44-29/h1-6,10,17,24-26,29-31,34-41H,7-9H2/t17-,24-,25+,26-,29-/m1/s1

SMILES:: OCC(CO)NN1C(=O)C2=C3C(NC4=C3C=CC(O)=C4)=C3N([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C4=C(C=CC(O)=C4)C3=C2C1=O

IUPAC Name:: 13-[(1,3-dihydroxypropan-2-yl)amino]-6,20-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0,.0,.0,.0,]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

DrugBank KEGG Drug ChEMBL

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4682

Interactors 1
Chemical Interactions 2
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Chemical Summary

Edotecarin