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Compound Detail

CHEMBL5745805

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Cc1nnc(-c2ccc3cnc(NC(=O)CN4CCOCC4)cc3c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5745805
Phase Preclinical
Structure Type MOL
InChI Key MKERJWHOJNYMPR-UHFFFAOYSA-N
3
Targets
32
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
2.33
ALogP
7
HBA
1
HBD
80.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N5O2S
MW 369.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.05

Activity Summary

EC50 32 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
CHEMBL2292
 EC50 8.14 7.8893 7.2 14
Glycogen synthase kinase-3 beta
CHEMBL262
 EC50 8.1 8.0143 8.0 14
Proto-oncogene Wnt-1
CHEMBL1255129
 EC50 6.32 5.905 480.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 7.2 nM 8.14 The screening assay for DYRK1A kinase activity: Each compound was dissolved in D... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 7.2 nM 8.14 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 = 7.2 nM 8.14 Kinase Assay: The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-lyt... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 7.2 nM 8.14 DYRK1A Kinase Activity Assay: Each compound was dissolved in DMSO as a 10 mM sto... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 7.2 nM 8.14 The screening assay for DYRK1A kinase activity : Each compound was dissolved in ... -
Glycogen synthase kinase-3 beta EC50 = 8.0 nM 8.1 The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a... -
Glycogen synthase kinase-3 beta EC50 = 8.0 nM 8.1 The screening assay for GSK3beta kinase activity: Each compound is dissolved in ... -
Glycogen synthase kinase-3 beta EC50 = 8.0 nM 8.1 Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc... -
Glycogen synthase kinase-3 beta EC50 = 8.0 nM 8.1 Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... -
Glycogen synthase kinase-3 beta EC50 = 8.0 nM 8.1 GSK3B Kinase Assay: The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z... -
Glycogen synthase kinase-3 beta EC50 = 9.0 nM 8.05 The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a... -
Glycogen synthase kinase-3 beta EC50 = 9.0 nM 8.05 Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc... -
Glycogen synthase kinase-3 beta EC50 = 9.0 nM 8.05 Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... -
Glycogen synthase kinase-3 beta EC50 = 9.0 nM 8.05 GSK3B Kinase Assay: The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z... -
Glycogen synthase kinase-3 beta EC50 = 11.0 nM 7.96 Kinase Assay: The GSK3β kinase assay is run using the Ser/Thr 09 peptide Z-lyte ... -
Glycogen synthase kinase-3 beta EC50 = 11.0 nM 7.96 GSK3B Kinase Assay: The GSK3B kinase assay is run using the Ser/Thr 09 peptide Z... -
Glycogen synthase kinase-3 beta EC50 = 11.0 nM 7.96 Z-lyte Assay: GSK3B: This is a non-radioactive assay using fluorescence resonanc... -
Glycogen synthase kinase-3 beta EC50 = 11.0 nM 7.96 The screening for GSK3beta kinase activity: Each compound is dissolved in DMSO a... -
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 ... -
Dual specificity tyrosine-phosphorylation-regulated kinase 1A EC50 = 14.6 nM 7.84 Z-lyte Assay : The DYRK1A kinase assay was run using the Ser/Thr 18 peptide Z-ly... -

Data from ChEMBL 36 via Core Engine