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Compound Detail

CHEMBL319542

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O=C(O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1CC[C@@H]2O1

Basic Information

ChEMBL ID CHEMBL319542
Phase Preclinical
Structure Type MOL
InChI Key NXYMCEGDUWHVJR-ARKGTOAJSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.4
MW (Da)
1.33
ALogP
4
HBA
2
HBD
99.7
PSA (Ų)
0.81
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 C19H18N2O5
MW 354.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 0.05

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