AMRUBICIN

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Synonyms
Status
Molecule Category Free-form
ATC L01DB10
UNII 93N13LB4Z2

Structure

InChI Key VJZITPJGSQKZMX-XDPRQOKASA-N
Smiles CC(=O)[C@]1(N)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](O)[C@H](O)CO2)C1)C(=O)c1ccccc1C3=O
InChI
InChI=1S/C25H25NO9/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3/t14-,15+,16-,17-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H25NO9
Molecular Weight 483.47
AlogP 0.63
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 3.0
Polar Surface Area 176.61
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
DNA topoisomerase II alpha inhibitor INHIBITOR PubMed

Target Conservation

Protein: DNA topoisomerase II alpha
Description: DNA topoisomerase 2-alpha
Organism : Homo sapiens
P11388 ENSG00000131747

Related Entries

Cross References

Resources Reference
ChEBI 135779
ChEMBL CHEMBL1186894
DrugBank DB06263
DrugCentral 202
FDA SRS 93N13LB4Z2
PubChem 3035016
SureChEMBL SCHEMBL9140
ZINC ZINC000003780800
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