C-1311

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Synonyms
Status
Molecule Category Mixture
UNII MZ4Y5H4OAB

Structure

InChI Key CUNDRHORZHFPLY-UHFFFAOYSA-N
Smiles CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23
InChI
InChI=1S/C20H22N4O2/c1-3-23(4-2)10-9-21-15-6-7-16-19-18(15)20(26)14-11-13(25)5-8-17(14)24(19)12-22-16/h5-8,11-12,21,25H,3-4,9-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H22N4O2
Molecular Weight 350.42
AlogP 2.9
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 69.87
Molecular species BASE
Aromatic Rings 4.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
DNA topoisomerase II inhibitor INHIBITOR PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- 126-148 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1.14-480 - - -
Mus musculus
- 31 - - -

Target Conservation

Protein: DNA topoisomerase II
Description: DNA topoisomerase 2-alpha
Organism : Homo sapiens
P11388 ENSG00000131747
Protein: Tyrosine-protein kinase receptor FLT3
Description: Receptor-type tyrosine-protein kinase FLT3
Organism : Homo sapiens
P36888 ENSG00000122025
Protein: DNA topoisomerase II
Description: DNA topoisomerase 2-beta
Organism : Homo sapiens
Q02880 ENSG00000077097

Cross References

Resources Reference
ChEMBL CHEMBL3545337
FDA SRS MZ4Y5H4OAB
PubChem 132127
ChEMBL CHEMBL338604
FDA SRS MZ4Y5H4OAB
PubChem 132127
SureChEMBL SCHEMBL2442405
ZINC ZINC000003825292
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