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Compound Detail

CHEMBL376241

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COc1ccc([C@H]2[C@H]3CCc4c(OC)cccc4C3=NN2C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376241
Phase Preclinical
Structure Type MOL
InChI Key ZDSAECUODINFSM-RXVVDRJESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.57
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O3
MW 350.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
17361994 10.1021/jm061016o Jurkat 1
18408713 10.1038/nchembio.83 Receptor-interacting serine/threonine-protein kinase 1 1
18408713 10.1038/nchembio.83 Jurkat 1

Data from ChEMBL 36 via Core Engine