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Compound Detail

CHEMBL98050

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

Basic Information

ChEMBL ID CHEMBL98050
Phase Preclinical
Structure Type MOL
InChI Key NCMPYJUFEPHMFT-CBQIKETKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

239.2
MW (Da)
-0.38
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13NO5
MW 239.23
Aromatic Rings 0
Heavy Atoms 17
NP-Likeness 0.08

Activity Summary

IC50 1 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