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Compound Detail

CHEMBL381704

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COc1ccccc1Nc1nnc(-c2cccnc2CCc2ccncc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL381704
Phase Preclinical
Structure Type MOL
InChI Key UVZTZNILZOCDMT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
4.06
ALogP
7
HBA
1
HBD
86.0
PSA (Ų)
0.52
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 C21H19N5O2
MW 373.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.05

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