Synonyms
Status
Molecule Category Free-form
UNII C7VOZ162LV

Structure

InChI Key GCQYYIHYQMVWLT-HQNLTJAPSA-N
Smiles O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1/C=C/Br
InChI
InChI=1S/C11H13BrN2O6/c12-2-1-5-3-14(11(19)13-9(5)18)10-8(17)7(16)6(4-15)20-10/h1-3,6-8,10,15-17H,4H2,(H,13,18,19)/b2-1+/t6-,7-,8+,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H13BrN2O6
Molecular Weight 349.14
AlogP -1.49
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 124.78
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 20.0

Pharmacology

Mechanism of Action Action Reference
DNA polymerase catalytic subunit inhibitor INHIBITOR PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 150-200 - - -

Related Entries

Cross References

Resources Reference
ChEBI 32152
ChEMBL CHEMBL70046
DrugBank DB11998
DrugCentral 2463
FDA SRS C7VOZ162LV
PubChem 5282192
SureChEMBL SCHEMBL82640
ZINC ZINC000003653374