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Compound Detail

CHEMBL3401366

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COc1ccccc1-c1nc2c(O)nc(NC(C)=O)nc2[nH]1

Basic Information

ChEMBL ID CHEMBL3401366
Phase Preclinical
Structure Type MOL
InChI Key IFARQEUNUFACMD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
1.69
ALogP
6
HBA
3
HBD
113.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13N5O3
MW 299.29
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 4.87 4.87 13470.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.82 4.82 15040.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 4 1
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 3 1
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 2 1
25736993 10.1016/j.bmcl.2015.02.010 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine