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Compound Detail

CHEMBL4569173

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COc1cc2ncnc(C3CCN(Cc4ccc(OC(F)(F)F)cc4)CC3)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4569173
Phase Preclinical
Structure Type MOL
InChI Key ASTDULMRWPJKEJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

447.5
MW (Da)
4.93
ALogP
6
HBA
0
HBD
56.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24F3N3O3
MW 447.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
30563338 10.1021/acs.jmedchem.8b01606 Mitogen-activated protein kinase 7 2

Data from ChEMBL 36 via Core Engine