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Compound Detail

CHEMBL304760

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c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1

Basic Information

ChEMBL ID CHEMBL304760
Phase Preclinical
Structure Type MOL
InChI Key RJOICMFRJBMONF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
5.17
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.56
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 C20H15N3O
MW 313.36
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.06

Activity Summary

IC50 2 meas. best 5.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.57 5.57 2720.0 1
Angiopoietin-1 receptor
CHEMBL4128
IC50 4.75 4.75 17870.0 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 2
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