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Compound Detail

CHEMBL5556892

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O=P(O)(O)C(F)(F)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5556892
Phase Preclinical
Structure Type MOL
InChI Key ZXSZNVDQSRRNFG-UHFFFAOYSA-N
0
Targets
10
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

411.1
MW (Da)
4.80
ALogP
1
HBA
2
HBD
57.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8BrF4O3P
MW 411.08
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.30

Activity Summary

IC50 10 meas.

Literature References

PubMed DOI Target Context # Activities
38768084 10.1021/acs.jmedchem.4c00149 Receptor-type tyrosine-protein phosphatase C 1
38768084 10.1021/acs.jmedchem.4c00149 Laforin 1
38768084 10.1021/acs.jmedchem.4c00149 Dual specificity protein phosphatase 10 1
38768084 10.1021/acs.jmedchem.4c00149 Tyrosine-protein phosphatase non-receptor type 11 1
38768084 10.1021/acs.jmedchem.4c00149 Tyrosine-protein phosphatase non-receptor type 6 1
38768084 10.1021/acs.jmedchem.4c00149 Dual specificity protein phosphatase CDC14A 1
38768084 10.1021/acs.jmedchem.4c00149 Tyrosine-protein phosphatase non-receptor type 2 1
38768084 10.1021/acs.jmedchem.4c00149 Tyrosine-protein phosphatase non-receptor type 1 1
38768084 10.1021/acs.jmedchem.4c00149 Tyrosine-protein phosphatase non-receptor type 22 1
38768084 10.1021/acs.jmedchem.4c00149 Tyrosine-protein phosphatase non-receptor type 5 1
38768084 10.1021/acs.jmedchem.4c00149 ADMET 1

Data from ChEMBL 36 via Core Engine