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Compound Detail

CHEMBL5198928

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Cc1cc(Nc2nc(NCc3ccc(F)c(F)c3)nc3[nH]ncc23)n[nH]1

Basic Information

ChEMBL ID CHEMBL5198928
Phase Preclinical
Structure Type MOL
InChI Key XFMPLIZHPZASFA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
3.02
ALogP
6
HBA
4
HBD
107.2
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14F2N8
MW 356.34
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.19

Activity Summary

IC50 1 meas. best 7.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK4
CHEMBL3788
IC50 7.65 7.65 22.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35576702 10.1016/j.ejmech.2022.114424 Serine/threonine-protein kinase PLK4 1
35576702 10.1016/j.ejmech.2022.114424 Serine/threonine-protein kinase PAK 4 1
35576702 10.1016/j.ejmech.2022.114424 Unchecked 1

Data from ChEMBL 36 via Core Engine