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Compound Detail

CHEMBL209049

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CCOc1nc(NCc2cc(OC)ccc2OC)cc(N)c1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL209049
Phase Preclinical
Structure Type MOL
InChI Key JIQIVSONTICDKE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
2.56
ALogP
7
HBA
2
HBD
102.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O3
MW 328.37
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
16854050 10.1021/jm060465l c-Jun N-terminal kinase, JNK 1
16854050 10.1021/jm060465l Mitogen-activated protein kinase 9 1
16854050 10.1021/jm060465l Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine