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Compound Detail

CHEMBL200029

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O=P(O)(O)CNc1cccc(-c2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL200029
Phase Preclinical
Structure Type MOL
InChI Key QBIACYSJANSYDK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.2
MW (Da)
2.90
ALogP
2
HBA
3
HBD
69.6
PSA (Ų)
0.74
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 C13H14NO3P
MW 263.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.54

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