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Compound Detail

CHEMBL204312

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COc1ccccc1Nc1nnc(-c2c(NCc3ccncc3)ncn2C)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204312
Phase Preclinical
Structure Type MOL
InChI Key KLWYTGUANSIRKD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
3.23
ALogP
9
HBA
2
HBD
102.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N7O2
MW 377.41
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.24

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