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Compound Detail

CHEMBL261440

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O=C(Nc1n[nH]c2cc(-c3cc(F)ccc3F)ccc12)C1CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL261440
Phase Preclinical
Structure Type MOL
InChI Key UJERGWSOAWHUAX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
3.86
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13F2N3O
MW 313.31
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 beta
CHEMBL262
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glycogen synthase kinase-3 beta IC50 = 1000.0 nM 6.0 Inhibition of recombinant GSK3-beta 18324764

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase ABL1 14
- 10.6019/CHEMBL1961873 Epidermal growth factor receptor 10
- 10.6019/CHEMBL1961873 Mast/stem cell growth factor receptor Kit 8
- 10.6019/CHEMBL1961873 Platelet-derived growth factor receptor alpha 8
- 10.6019/CHEMBL1961873 Proto-oncogene tyrosine-protein kinase receptor Ret 6
- 10.6019/CHEMBL1961873 Cyclin-dependent kinase 2 4
- 10.6019/CHEMBL1961873 Leucine-rich repeat serine/threonine-protein kinase 2 4
- 10.6019/CHEMBL1961873 Protein kinase C beta type 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase B-raf 4
- 10.6019/CHEMBL1961873 Receptor-type tyrosine-protein kinase FLT3 4
- 10.6019/CHEMBL1961873 Tyrosine-protein kinase Lyn 4
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase DCLK2 2
- 10.6019/CHEMBL1961873 MAP kinase-activated protein kinase 2 2
- 10.6019/CHEMBL1961873 MAP kinase-activated protein kinase 3 2
- 10.6019/CHEMBL1961873 Serine/threonine-protein kinase MARK1 2
- 10.6019/CHEMBL1961873 MAP/microtubule affinity-regulating kinase 3 2
- 10.6019/CHEMBL1961873 Death-associated protein kinase 1 2
- 10.6019/CHEMBL1961873 Calcium/calmodulin-dependent protein kinase type IV 2
- 10.6019/CHEMBL1961873 Calcium/calmodulin-dependent protein kinase type II subunit delta 2
- 10.6019/CHEMBL2007661 Serine/threonine-protein kinase TBK1 2

Data from ChEMBL 36 via Core Engine