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Compound Detail

CHEMBL375226

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Cc1ccnc(N(Cc2ccccc2)C(P(=O)(O)O)P(=O)(O)O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL375226
Phase Preclinical
Structure Type MOL
InChI Key LLUKRXGATSFVCD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.2
MW (Da)
2.04
ALogP
4
HBA
4
HBD
131.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N2O6P2
MW 372.25
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.63

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17149863 10.1021/jm060492b Escherichia coli 3
15857119 10.1021/jm040132t HFF 1

Data from ChEMBL 36 via Core Engine