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Compound Detail

CHEMBL323093

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O=C(O)[C@@H](Cc1ccc(O)cc1)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL323093
Phase Preclinical
Structure Type MOL
InChI Key OICQNCXLWKPHIR-RGDJUOJXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

331.3
MW (Da)
0.55
ALogP
5
HBA
2
HBD
104.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17NO6
MW 331.32
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.25

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11677131 10.1016/s0960-894x(01)00594-7 Protein phosphatase 1B 1
11677131 10.1016/s0960-894x(01)00594-7 Serine-threonine protein phosphatase 2A regulatory subunit 1
11677131 10.1016/s0960-894x(01)00594-7 Unchecked 1

Data from ChEMBL 36 via Core Engine