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Compound Detail

CHEMBL2158220

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O=P(O)(O)CCc1cncc2cc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158220
Phase Preclinical
Structure Type MOL
InChI Key LVHSQZVTYLVLDO-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

226.2
MW (Da)
1.28
ALogP
2
HBA
3
HBD
86.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H11N2O3P
MW 226.17
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.03

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