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Compound Detail

CHEMBL99251

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COC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)[C@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc1ccccc1)OC)NC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL99251
Phase Preclinical
Structure Type MOL
InChI Key RDLNLWFRLNSNIR-CVTZZJHUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

484.6
MW (Da)
3.69
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H40N2O5
MW 484.64
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
14611855 10.1016/s0960-894x(03)00588-2 Protein phosphatase 1B 1
14611855 10.1016/s0960-894x(03)00588-2 Serine/threonine-protein phosphatase 2A catalytic subunit alpha isoform 1

Data from ChEMBL 36 via Core Engine