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Compound Detail

CHEMBL247252

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Nc1ncnc2occ(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)c12

Basic Information

ChEMBL ID CHEMBL247252
Phase Preclinical
Structure Type MOL
InChI Key KFCVIOJQUCKOOW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
5.27
ALogP
5
HBA
3
HBD
106.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N5O2
MW 395.42
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.94

Activity Summary

IC50 2 meas. best 6.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Angiopoietin-1 receptor
CHEMBL4128
IC50 6.74 6.74 182.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.35 6.35 446.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17276055 10.1016/j.bmcl.2006.12.077 Angiopoietin-1 receptor 1
17276055 10.1016/j.bmcl.2006.12.077 Vascular endothelial growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine