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Compound Detail

CHEMBL383126

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Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Cc3ccccc3)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL383126
Phase Preclinical
Structure Type MOL
InChI Key YISGFDLHKCIHAA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

437.5
MW (Da)
4.81
ALogP
8
HBA
2
HBD
93.7
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23N7O
MW 437.51
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
16321531 10.1016/j.bmcl.2005.11.033 Vascular endothelial growth factor receptor 2 2
16321531 10.1016/j.bmcl.2005.11.033 Vascular endothelial growth factor receptor 1 1
16321531 10.1016/j.bmcl.2005.11.033 Insulin-like growth factor 1 receptor 1
16321531 10.1016/j.bmcl.2005.11.033 Insulin receptor 1
16321531 10.1016/j.bmcl.2005.11.033 Fibroblast growth factor receptor 1 1
16321531 10.1016/j.bmcl.2005.11.033 Receptor-type tyrosine-protein kinase FLT3 1
16321531 10.1016/j.bmcl.2005.11.033 Epidermal growth factor receptor 1
16321531 10.1016/j.bmcl.2005.11.033 Receptor tyrosine-protein kinase erbB-2 1
16321531 10.1016/j.bmcl.2005.11.033 Ephrin type-B receptor 4 1
16321531 10.1016/j.bmcl.2005.11.033 Hepatocyte growth factor receptor 1
16321531 10.1016/j.bmcl.2005.11.033 cAMP-dependent protein kinase (PKA) 1
16321531 10.1016/j.bmcl.2005.11.033 Glycogen synthase kinase-3 beta 1
16321531 10.1016/j.bmcl.2005.11.033 RAC-alpha serine/threonine-protein kinase 1
16321531 10.1016/j.bmcl.2005.11.033 Bcr/Abl fusion protein 1
16321531 10.1016/j.bmcl.2005.11.033 Cyclin-dependent kinase 2 1
16321531 10.1016/j.bmcl.2005.11.033 Cyclin-dependent kinase 5 1

Data from ChEMBL 36 via Core Engine