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Compound Detail

CHEMBL4751366

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O=C(CBr)NCCOP(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4751366
Phase Preclinical
Structure Type MOL
InChI Key MUORYJVNLAHVKL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

262.0
MW (Da)
-0.39
ALogP
3
HBA
3
HBD
95.9
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C4H9BrNO5P
MW 262.00
Aromatic Rings 0
Heavy Atoms 12
NP-Likeness -0.03

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
33249135 10.1016/j.bmcl.2020.127723 Unchecked 8
33249135 10.1016/j.bmcl.2020.127723 Trypanosoma cruzi 1
33249135 10.1016/j.bmcl.2020.127723 NIH3T3 1
32679452 10.1016/j.ejmech.2020.112612 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 1

Data from ChEMBL 36 via Core Engine