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Compound Detail

CHEMBL207061

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Oc1nc2ncccc2c(O)c1-c1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL207061
Phase Preclinical
Structure Type MOL
InChI Key QRYNTGJRIPZSPM-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

278.3
MW (Da)
2.58
ALogP
5
HBA
3
HBD
94.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10N4O2
MW 278.27
Aromatic Rings 4
Heavy Atoms 21
NP-Likeness -0.67

Activity Summary

IC50 4 meas. best 5.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 5.52 5.52 3000.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.41 5.41 3940.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.3 5.3 5000.0 1
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.18 5.18 6530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16446087 10.1016/j.bmcl.2006.01.020 Vascular endothelial growth factor receptor 1 1
16446087 10.1016/j.bmcl.2006.01.020 Vascular endothelial growth factor receptor 2 1
16446087 10.1016/j.bmcl.2006.01.020 Platelet-derived growth factor receptor beta 1
16446087 10.1016/j.bmcl.2006.01.020 Fibroblast growth factor receptor 1 1
16446087 10.1016/j.bmcl.2006.01.020 HMEC 1

Data from ChEMBL 36 via Core Engine