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Compound Detail

CHEMBL6001931

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Nc1ncnc2c1c(-c1ccc(NC(=O)Nc3cc(C(F)(F)F)no3)c(F)c1)cn2C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6001931
Phase Preclinical
Structure Type MOL
InChI Key JHJZVEJFECTCKF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.4
MW (Da)
4.81
ALogP
7
HBA
3
HBD
123.9
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15F4N7O2
MW 461.38
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 6.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase Nek7
CHEMBL4849
 IC50 6.65 6.65 225.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase Nek7 IC50 = 225.0 nM 6.65 Enzymatic Assay: Casein substrate (from bovine milk, hydrolyzed and partially de... -

Data from ChEMBL 36 via Core Engine