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Compound Detail

CHEMBL69638

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Nc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1

Basic Information

ChEMBL ID CHEMBL69638
Phase Preclinical
Structure Type MOL
InChI Key OWDYYQABYMVBBC-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
5.59
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.51
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22N4O
MW 370.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.49

Activity Summary

IC50 5 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Lck
CHEMBL258
IC50 6.85 6.2333 140.0 3
Angiopoietin-1 receptor
CHEMBL4128
IC50 5.47 5.47 3400.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11012021 10.1016/s0960-894x(00)00441-8 Tyrosine-protein kinase Lck 4
11012021 10.1016/s0960-894x(00)00441-8 Proto-oncogene tyrosine-protein kinase Src 1
11012021 10.1016/s0960-894x(00)00441-8 Vascular endothelial growth factor receptor 2 1
11012021 10.1016/s0960-894x(00)00441-8 Angiopoietin-1 receptor 1

Data from ChEMBL 36 via Core Engine