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Compound Detail

CHEMBL288143

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CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12

Basic Information

ChEMBL ID CHEMBL288143
Phase Preclinical
Structure Type MOL
InChI Key SKJDYCVWWBJYSF-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.76
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5O
MW 281.32
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.38

Activity Summary

IC50 5 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glycogen synthase kinase-3 alpha
CHEMBL2850
IC50 8.4 8.4 4.0 3
Unchecked
CHEMBL612545
IC50 8.4 8.4 4.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17707953 10.1016/j.ejmech.2007.06.016 Unchecked 2
12699760 10.1016/s0960-894x(03)00135-5 Unchecked 2
12699760 10.1016/s0960-894x(03)00135-5 Dual specificity mitogen-activated protein kinase kinase 1 1
12699760 10.1016/s0960-894x(03)00135-5 Mitogen-activated protein kinase 14 1
12699760 10.1016/s0960-894x(03)00135-5 Rho-associated protein kinase 1
12699760 10.1016/s0960-894x(03)00135-5 MAP kinase-activated protein kinase 5 1
12699760 10.1016/s0960-894x(03)00135-5 Protein kinase C alpha type 1
12699760 10.1016/s0960-894x(03)00135-5 RAC-alpha serine/threonine-protein kinase 1
12699760 10.1016/s0960-894x(03)00135-5 cAMP-dependent protein kinase (PKA) 1
12699760 10.1016/s0960-894x(03)00135-5 3-phosphoinositide-dependent protein kinase 1 1
12699760 10.1016/s0960-894x(03)00135-5 Ribosomal protein S6 kinase (P70S6K) 1
12699760 10.1016/s0960-894x(03)00135-5 Ribosomal protein S6 kinase alpha-5 1
12941333 10.1016/s0960-894x(03)00646-2 Glycogen synthase kinase-3 alpha 1
12699760 10.1016/s0960-894x(03)00135-5 MAP kinase-activated protein kinase 2 1
12699760 10.1016/s0960-894x(03)00135-5 Ribosomal protein S6 kinase alpha-3 1
12699760 10.1016/s0960-894x(03)00135-5 Mitogen-activated protein kinase; ERK1/ERK2 1
12699760 10.1016/s0960-894x(03)00135-5 Tyrosine-protein kinase Lck 1
12699760 10.1016/s0960-894x(03)00135-5 Mitogen-activated protein kinase 8 1
12699760 10.1016/s0960-894x(03)00135-5 Casein kinase II 1
12699760 10.1016/s0960-894x(03)00135-5 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine