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Compound Detail

CHEMBL52620

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Cc1cc(C)nc(NC(P(=O)(O)O)P(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL52620
Phase Preclinical
Structure Type MOL
InChI Key MISHIOYEBLOUTF-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

296.2
MW (Da)
0.75
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.51
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 C8H14N2O6P2
MW 296.16
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.62

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
17149863 10.1021/jm060492b Escherichia coli 3
14695831 10.1021/jm030084x Entamoeba histolytica 1
14695831 10.1021/jm030084x Plasmodium falciparum 1
14695831 10.1021/jm030084x KB 1
14695831 10.1021/jm030084x ADMET 1
14695831 10.1021/jm030084x Squalene synthase 1
15857119 10.1021/jm040132t HFF 1
15857119 10.1021/jm040132t KB 1
15857119 10.1021/jm040132t ADMET 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