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Compound Detail

CHEMBL383299

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Nc1c2ncnc-2[nH]c(O)c1-c1nc2ccccc2[nH]1

Basic Information

ChEMBL ID CHEMBL383299
Phase Preclinical
Structure Type MOL
InChI Key FFQQVSHJKNRETB-UHFFFAOYSA-N
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

266.3
MW (Da)
1.74
ALogP
5
HBA
4
HBD
116.5
PSA (Ų)
0.42
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 C13H10N6O
MW 266.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.58

Activity Summary

IC50 4 meas. best 6.81
EC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 6.81 6.81 154.0 1
Vascular endothelial growth factor receptor 2
CHEMBL3337
IC50 6.26 6.26 552.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 6.22 6.22 602.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.58 5.58 2660.0 1
HMEC
CHEMBL614734
EC50 5.43 5.43 3680.0 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