Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4091915

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NC(=O)c1ccc(-c2cnc3cc(Cl)ccn23)cc1OCc1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4091915
Phase Preclinical
Structure Type MOL
InChI Key QKAOTODSEVHIHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.8
MW (Da)
5.35
ALogP
4
HBA
1
HBD
69.6
PSA (Ų)
0.45
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15ClF3N3O2
MW 445.83
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
28039836 10.1016/j.ejmech.2016.12.026 Serine/threonine-protein kinase Nek2 1

Data from ChEMBL 36 via Core Engine