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Compound Detail

CHEMBL363229

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COC(=O)c1c(O)cccc1OCC(O)Cc1cccc(-c2cc(C(=O)O)no2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL363229
Phase Preclinical
Structure Type MOL
InChI Key YJXPYYZKLHGZSF-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
2.51
ALogP
8
HBA
3
HBD
139.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO8
MW 413.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.33

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
15482920 10.1016/j.bmcl.2004.08.063 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine