Trade Names
Synonyms
Status
Molecule Category Free-form
ATC L01AX02
UNII 6Q99RDT97R
EPA CompTox DTXSID7023485

Structure

InChI Key NJBFOOCLYDNZJN-UHFFFAOYSA-N
Smiles O=C(CCBr)N1CCN(C(=O)CCBr)CC1
InChI
InChI=1S/C10H16Br2N2O2/c11-3-1-9(15)13-5-7-14(8-6-13)10(16)2-4-12/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16Br2N2O2
Molecular Weight 356.06
AlogP 1.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 40.62
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
DNA inhibitor INHIBITOR PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 62.45-82.4

Cross References

Resources Reference
ChEBI 8242
ChEMBL CHEMBL1585
DrugBank DB00236
DrugCentral 2192
FDA SRS 6Q99RDT97R
Human Metabolome Database HMDB0014381
Guide to Pharmacology 7271
KEGG C07362
PharmGKB PA164747673
PubChem 4842
SureChEMBL SCHEMBL4889
ZINC ZINC000001530753