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Compound Detail

CHEMBL607359

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CC(=O)N(O)CCC(C)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL607359
Phase Preclinical
Structure Type MOL
InChI Key DKQIVUFJEDPLFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

211.2
MW (Da)
0.18
ALogP
3
HBA
3
HBD
98.1
PSA (Ų)
0.35
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 C6H14NO5P
MW 211.15
Aromatic Rings 0
Heavy Atoms 13
NP-Likeness 0.51

Activity Summary

IC50 1 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
1-deoxy-D-xylulose 5-phosphate reductoisomerase
CHEMBL4091
 IC50 7.27 7.27 53.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
1-deoxy-D-xylulose 5-phosphate reductoisomerase IC50 = 53.7 nM 7.27 Inhibitory concentration against DOXP reductoisomerase 15887963

Literature References

PubMed DOI Target Context # Activities
15887963 10.1021/jm0491501 1-deoxy-D-xylulose 5-phosphate reductoisomerase 1

Data from ChEMBL 36 via Core Engine