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Compound Detail

CHEMBL396730

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CCCCCCOc1nccc(Nc2ccccc2C(=O)O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL396730
Phase Preclinical
Structure Type MOL
InChI Key NFMZZJDZXIEKCB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.88
ALogP
5
HBA
2
HBD
84.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O3
MW 315.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.83

Literature References

PubMed DOI Target Context # Activities
17107797 10.1016/j.bmcl.2006.10.093 Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine