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Compound Detail

CHEMBL5984644

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O=C(CN1CCOCC1)Nc1cc2cc(-c3cccnc3)ccc2cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5984644
Phase Preclinical
Structure Type MOL
InChI Key CLBWIBGTPGZZNC-UHFFFAOYSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.57
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2
MW 348.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.66

Activity Summary

EC50 6 meas. best 8.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 EC50 8.1 8.0133 8.0 3
Glycogen synthase kinase-3 beta
CHEMBL262
 EC50 6.34 6.24 455.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 8.0 nM 8.1 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 9.0 nM 8.05 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 13.0 nM 7.89 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Glycogen synthase kinase-3 beta EC50 = 455.0 nM 6.34 Kinase Assay : The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte... -
Glycogen synthase kinase-3 beta EC50 = 525.0 nM 6.28 Kinase Assay : The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte... -
Glycogen synthase kinase-3 beta EC50 = 795.0 nM 6.1 Kinase Assay : The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte... -

Data from ChEMBL 36 via Core Engine