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Compound Detail

CHEMBL5884752

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Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cc(C4CC4)on3)c(F)c1)cn2C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5884752
Phase Preclinical
Structure Type MOL
InChI Key OAWSWXJQBVWYLB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.4
MW (Da)
4.66
ALogP
7
HBA
3
HBD
123.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20FN7O2
MW 433.45
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Nek7
CHEMBL4849
 IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Nek7 IC50 = 400.0 nM 6.4 Enzymatic Assay: Casein substrate (from bovine milk, hydrolyzed and partially de... -

Data from ChEMBL 36 via Core Engine