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Compound Detail

CHEMBL204846

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CC(C)(C)c1ccc(Nc2nnc(-c3cc4ccccc4nc3CCc3ccncc3)o2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL204846
Phase Preclinical
Structure Type MOL
InChI Key SEUSNLQOSNVICG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
6.51
ALogP
6
HBA
1
HBD
76.7
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5O
MW 449.56
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.19

Literature References

PubMed DOI Target Context # Activities
16460936 10.1016/j.bmcl.2005.12.090 Vascular endothelial growth factor receptor 2 2
16460936 10.1016/j.bmcl.2005.12.090 Vascular endothelial growth factor receptor 1 1
16460936 10.1016/j.bmcl.2005.12.090 Bcr/Abl fusion protein 1
16460936 10.1016/j.bmcl.2005.12.090 Cyclin-dependent kinase 2 1
16460936 10.1016/j.bmcl.2005.12.090 Cyclin-dependent kinase 5 1

Data from ChEMBL 36 via Core Engine