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Compound Detail

CHEMBL6054569

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CN(C)C1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6054569
Phase Preclinical
Structure Type MOL
InChI Key HZEICOMNMJRQDY-UHFFFAOYSA-N
3
Targets
16
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.5
MW (Da)
3.69
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N5O
MW 377.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.61

Activity Summary

EC50 16 meas. best 8.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 EC50 8.77 8.6971 1.7 7
Glycogen synthase kinase-3 beta
CHEMBL262
 EC50 7.18 7.1171 66.0 7
Proto-oncogene Wnt-1
CHEMBL1255129
 EC50 6.59 6.075 258.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 1.7 nM 8.77 The screening assay for DYRK1A kinase activity : Each compound was dissolved in ... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 1.7 nM 8.77 Z-lyte Assay : The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-ly... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 2.0 nM 8.7 Kinase Assay: Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 wer... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 2.2 nM 8.66 The screening assay for DYRK1A kinase activity: Each compound was dissolved in D... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 2.2 nM 8.66 Z-lyte Assay : The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-ly... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 2.2 nM 8.66 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 2.2 nM 8.66 DYRK1A Kinase Activity Assay: Each compound was dissolved in DMSO as a 10 mM sto... -
Glycogen synthase kinase-3 beta EC50 = 66.0 nM 7.18 The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a... -
Glycogen synthase kinase-3 beta EC50 = 66.0 nM 7.18 Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc... -
Glycogen synthase kinase-3 beta EC50 = 80.0 nM 7.1 Fluorescence Resonance Energy Transfer (FRET) Assay: Briefly, recombinant GSK3β ... -
Glycogen synthase kinase-3 beta EC50 = 82.0 nM 7.09 The screening assay for GSK3beta kinase activity: Each compound is dissolved in ... -
Glycogen synthase kinase-3 beta EC50 = 82.0 nM 7.09 Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc... -
Glycogen synthase kinase-3 beta EC50 = 82.0 nM 7.09 Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... -
Glycogen synthase kinase-3 beta EC50 = 82.0 nM 7.09 GSK3B Kinase Assay: The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z... -
Proto-oncogene Wnt-1 EC50 = 258.0 nM 6.59 The screening assay for Wnt activity: The screening assay for Wnt activity is de... -
Proto-oncogene Wnt-1 EC50 = 2734.0 nM 5.56 The screening assay for Wnt activity: SW480 colon carcinoma cells were transduce... -

Data from ChEMBL 36 via Core Engine