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Compound Detail

CHEMBL5859208

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Cc1ncc(-c2ccc3cnc(NC(=O)CN4CCOCC4)cc3c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5859208
Phase Preclinical
Structure Type MOL
InChI Key OEMBMQCWBLADCV-UHFFFAOYSA-N
3
Targets
20
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
2.94
ALogP
6
HBA
1
HBD
67.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O2S
MW 368.46
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.71

Activity Summary

EC50 20 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 EC50 8.05 7.1875 9.0 8
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 EC50 7.89 7.8263 12.9 8
Proto-oncogene Wnt-1
CHEMBL1255129
 EC50 6.32 5.54 480.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta EC50 = 9.0 nM 8.05 The screening assay for GSK3beta kinase activity: Each compound is dissolved in ... -
Glycogen synthase kinase-3 beta EC50 = 11.0 nM 7.96 The screening assay for GSK3beta kinase activity: Each compound is dissolved in ... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 12.9 nM 7.89 The screening assay for DYRK1A kinase activity : Each compound was dissolved in ... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 12.9 nM 7.89 The screening assay for DYRK1A kinase activity: Each compound was dissolved in D... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 12.9 nM 7.89 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 = 12.9 nM 7.89 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 12.9 nM 7.89 DYRK1A Kinase Activity Assay: Each compound was dissolved in DMSO as a 10 mM sto... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 14.6 nM 7.84 The screening assay for DYRK1A kinase activity: Each compound was dissolved in D... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 18.0 nM 7.75 The screening assay for DYRK1A kinase activity: Each compound was dissolved in D... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 27.0 nM 7.57 Kinase Assay: Briefly, recombinant DYRK1A kinase, ATP and Ser/Thr peptide 18 wer... -
Glycogen synthase kinase-3 beta EC50 = 110.0 nM 6.96 The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a... -
Glycogen synthase kinase-3 beta EC50 = 110.0 nM 6.96 GSK3B Kinase Assay: The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z... -
Glycogen synthase kinase-3 beta EC50 = 110.0 nM 6.96 Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... -
Glycogen synthase kinase-3 beta EC50 = 110.0 nM 6.96 Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc... -
Glycogen synthase kinase-3 beta EC50 = 110.0 nM 6.96 The screening assay for GSK3beta kinase activity: Each compound is dissolved in ... -
Glycogen synthase kinase-3 beta EC50 = 203.0 nM 6.69 Fluorescence Resonance Energy Transfer (FRET) Assay: Briefly, recombinant GSK3β ... -
Proto-oncogene Wnt-1 EC50 = 480.0 nM 6.32 The screening assay for Wnt activity: SW480 colon carcinoma cells were transduce... -
Proto-oncogene Wnt-1 EC50 = 2285.0 nM 5.64 The screening assay for Wnt activity: SW480 colon carcinoma cells were transduce... -
Proto-oncogene Wnt-1 EC50 = 7901.0 nM 5.1 The screening assay for Wnt activity: The screening assay for Wnt activity is de... -
Proto-oncogene Wnt-1 EC50 = 7901.0 nM 5.1 The screening assay for Wnt activity: SW480 colon carcinoma cells were transduce... -

Data from ChEMBL 36 via Core Engine