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Compound Detail

CHEMBL5169342

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Cc1cc(Nc2nc(NCc3ccc(F)cc3F)nc3c2cnn3C)n[nH]1

Basic Information

ChEMBL ID CHEMBL5169342
Phase Preclinical
Structure Type MOL
InChI Key RXHAUQUQIMFCLS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.03
ALogP
7
HBA
3
HBD
96.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16F2N8
MW 370.37
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.34

Activity Summary

IC50 1 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK4
CHEMBL3788
IC50 7.76 7.76 17.5 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