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Compound Detail

CHEMBL5558254

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CNC(=O)c1ccccc1Nc1nc(Nc2ccc(S(C)(=O)=O)cc2)nc2[nH]ncc12

Basic Information

ChEMBL ID CHEMBL5558254
Phase Preclinical
Structure Type MOL
InChI Key LMMXMJJQNDXLSR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
2.60
ALogP
8
HBA
4
HBD
141.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N7O3S
MW 437.49
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.99

Activity Summary

IC50 1 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PLK4
CHEMBL3788
IC50 7.57 7.57 27.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase PLK4 IC50 = 27.0 nM 7.57 Inhibition of PLK4 (unknown origin) 38199166

Literature References

PubMed DOI Target Context # Activities
38199166 10.1016/j.ejmech.2023.116115 Serine/threonine-protein kinase PLK4 1

Data from ChEMBL 36 via Core Engine