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Compound Detail

CHEMBL2158218

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O=P(O)(O)CCc1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2158218
Phase Preclinical
Structure Type MOL
InChI Key SGAHHSAMYIOZPH-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
2.56
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.81
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 C12H13O3P
MW 236.21
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.15

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