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Compound Detail

CHEMBL4061228

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CNC(=O)c1ccc(-c2cnc3cc(N4CCN(C)CC4)ccn23)cc1OC(C)c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4061228
Phase Preclinical
Structure Type MOL
InChI Key GLNCAFYPDPDEQA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

537.6
MW (Da)
5.27
ALogP
6
HBA
1
HBD
62.1
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H30F3N5O2
MW 537.59
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.33

Activity Summary

IC50 1 meas.

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