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Compound Detail

CHEMBL4757267

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Cn1cc(-c2ccc3cn[nH]c3c2)ccc1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4757267
Phase Preclinical
Structure Type MOL
InChI Key VVRIPXILGSWBMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
1.93
ALogP
3
HBA
1
HBD
50.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
33303237 10.1016/j.ejmech.2020.113057 MAP kinase-interacting serine/threonine-protein kinase 1 1
33303237 10.1016/j.ejmech.2020.113057 MAP kinase-interacting serine/threonine-protein kinase 2 1

Data from ChEMBL 36 via Core Engine