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Compound Detail

CHEMBL301857

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O=P(O)(O)C(Nc1cccnc1Cl)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301857
Phase Preclinical
Structure Type MOL
InChI Key PPUKEDAGDUKXJE-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

302.6
MW (Da)
0.79
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.41
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 C6H9ClN2O6P2
MW 302.55
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.85

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
14695831 10.1021/jm030084x Entamoeba histolytica 1
14695831 10.1021/jm030084x Plasmodium falciparum 1
14695831 10.1021/jm030084x KB 1
17149863 10.1021/jm060492b Escherichia coli 1
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1
20185316 10.1016/j.bmc.2010.01.068 Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine