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Compound Detail

CHEMBL408609

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CC(C)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 CHEMBL408609
Phase Preclinical
Structure Type MOL
InChI Key CZELEMCWPLFMJD-NZFPMDFQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
0.65
ALogP
4
HBA
1
HBD
83.9
PSA (Ų)
0.76
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 C14H19NO5
MW 281.31
Aromatic Rings 0
Heavy Atoms 20
NP-Likeness 0.14

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