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Compound Detail

CHEMBL5549893

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COc1cc2c(cc1Nc1ncc3ccc(=O)n(-c4ccccc4C(F)(F)F)c3n1)CN(C)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5549893
Phase Preclinical
Structure Type MOL
InChI Key VIBXCDAHAZBYOF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.5
MW (Da)
4.54
ALogP
7
HBA
1
HBD
72.3
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22F3N5O2
MW 481.48
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
38479166 10.1016/j.ejmech.2024.116310 Mitogen-activated protein kinase kinase kinase kinase 1 1

Data from ChEMBL 36 via Core Engine