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Compound Detail

CHEMBL399374

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CC(=O)N(O)C/C=C(\c1ccc(Cl)c(Cl)c1)P(=O)(O)O.N.N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL399374
Phase Preclinical
Structure Type MOL
InChI Key KROQGKRAPSEEOA-QKBHCULISA-N
Parent Compound CHEMBL1185222
Active Moiety CHEMBL1185222
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.1
MW (Da)
2.75
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H18Cl2N3O5P
MW 374.16
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.25

Activity Summary

IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5500.0 nM 5.26 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