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Compound Detail

CHEMBL1650061

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c1ccc(Nc2ncccn2)cc1

Basic Information

ChEMBL ID CHEMBL1650061
Phase Preclinical
Structure Type MOL
InChI Key XGXNTJHZPBRBHJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

171.2
MW (Da)
2.22
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H9N3
MW 171.20
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
21699136 10.1021/jm200349b Mitogen-activated protein kinase 14 3
21699136 10.1021/jm200349b Inhibitor of nuclear factor kappa-B kinase subunit beta 3
21699136 10.1021/jm200349b Focal adhesion kinase 1 1
24818958 10.1016/j.bmc.2014.04.035 Guanine nucleotide-binding protein G(q) subunit alpha 1
21699136 10.1021/jm200349b MAP kinase-activated protein kinase 2 1
21699136 10.1021/jm200349b Mitogen-activated protein kinase 8 1
21699136 10.1021/jm200349b Tyrosine-protein kinase JAK3 1
21699136 10.1021/jm200349b Tyrosine-protein kinase ITK/TSK 1
21699136 10.1021/jm200349b Insulin-like growth factor 1 receptor 1
21699136 10.1021/jm200349b Glycogen synthase kinase-3 beta 1
21699136 10.1021/jm200349b Tyrosine-protein kinase Fes/Fps 1
21174477 10.1021/jm1011148 Salmonella typhimurium 1
21699136 10.1021/jm200349b Receptor tyrosine-protein kinase erbB-4 1
21699136 10.1021/jm200349b Receptor tyrosine-protein kinase erbB-2 1
21699136 10.1021/jm200349b Epidermal growth factor receptor 1
21699136 10.1021/jm200349b Serine/threonine-protein kinase B-raf 1
21699136 10.1021/jm200349b Aurora kinase B 1
21699136 10.1021/jm200349b Aurora kinase A 1
21699136 10.1021/jm200349b Mitogen-activated protein kinase kinase kinase 5 1
21699136 10.1021/jm200349b RAC-beta serine/threonine-protein kinase 1

Data from ChEMBL 36 via Core Engine