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Compound Detail

CHEMBL1817872

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Nc1ccc(-c2cnc3[nH]cc(-c4ccoc4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1817872
Phase Preclinical
Structure Type MOL
InChI Key LZFOUSCUHHOHBV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.3
MW (Da)
4.07
ALogP
3
HBA
2
HBD
67.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O
MW 275.31
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
21699136 10.1021/jm200349b Mitogen-activated protein kinase 8 1

Data from ChEMBL 36 via Core Engine