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Compound Detail

CHEMBL2158217

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Nc1ccccc1/C=C/P(=O)(O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158217
Phase Preclinical
Structure Type MOL
InChI Key XDSAJYPCKJZNHT-AATRIKPKSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

199.2
MW (Da)
1.42
ALogP
2
HBA
3
HBD
83.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10NO3P
MW 199.15
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness 0.47

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
21988196 10.1021/jm200607g Low molecular weight phosphotyrosine protein phosphatase 2

Data from ChEMBL 36 via Core Engine