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Compound Detail

CHEMBL40659

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CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)CCCP(=O)(O)O)C(C)C

Basic Information

ChEMBL ID CHEMBL40659
Phase Preclinical
Structure Type MOL
InChI Key LYYUKDGGQDIULR-QMPWCTFMSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

734.9
MW (Da)
5.59
ALogP
10
HBA
4
HBD
186.1
PSA (Ų)
0.08
QED
2
Ro5 Violations
21
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H67O12P
MW 734.91
Aromatic Rings 0
Heavy Atoms 50
NP-Likeness 1.63

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
12699763 10.1016/s0960-894x(03)00105-7 Unchecked 2
12699763 10.1016/s0960-894x(03)00105-7 Serine/threonine-protein phosphatase 2A activator 1

Data from ChEMBL 36 via Core Engine