BROXURIDINE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: G34N38R2N1

Structure
InChI Key WOVKYSAHUYNSMH-RRKCRQDMSA-N
Smile O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1Br
InChI
InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11BrN2O5
Molecular Weight 307.1
AlogP -1.06
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 104.55
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - 5060-25000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leukemia 2 D007938 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 472552
ChEMBL CHEMBL222280
DrugBank DB12028
DrugCentral 3042
EPA CompTox DTXSID7033105
FDA SRS G34N38R2N1
PDB U33
PubChem 6035
SureChEMBL SCHEMBL27755
ZINC ZINC000001081243
CONTENTS