Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL250929

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(=O)N(O)C/C=C(\Br)P(=O)(O)O.N.N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL250929
Phase Preclinical
Structure Type MOL
InChI Key ZUXPSEHIMWPMKZ-OPIVVEOKSA-N
Parent Compound CHEMBL1182597
Active Moiety CHEMBL1182597
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.0
MW (Da)
0.64
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H15BrN3O5P
MW 308.07
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.53

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 450.0 nM 6.35 Inhibition of Escherichia coli DXR 17583502

Literature References

PubMed DOI Target Context # Activities
17583502 10.1016/j.bmcl.2007.06.026 Unchecked 1

Data from ChEMBL 36 via Core Engine