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Compound Detail

CHEMBL199654

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O=P(O)(O)C(O)(Cc1cccc(-c2ccc(O)nc2)c1)P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL199654
Phase Preclinical
Structure Type MOL
InChI Key VNEJJZFEJZQSIV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.2
MW (Da)
1.00
ALogP
5
HBA
6
HBD
168.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO8P2
MW 375.21
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16392806 10.1021/jm0582625 Hexokinase 2

Data from ChEMBL 36 via Core Engine