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Compound Detail

CHEMBL358672

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COc1cc2c(Nc3ccc(C#N)cc3F)ncnc2cc1OCCn1ccnn1

Basic Information

ChEMBL ID CHEMBL358672
Phase Preclinical
Structure Type MOL
InChI Key UGVYZLLHULWGLZ-UHFFFAOYSA-N
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

405.4
MW (Da)
3.06
ALogP
9
HBA
1
HBD
110.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16FN7O2
MW 405.39
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -2.01

Activity Summary

IC50 5 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 6.52 6.52 300.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 6.22 6.22 600.0 1
Fibroblast growth factor receptor
CHEMBL2095217
IC50 5.52 5.52 3000.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
IC50 5.09 5.09 8100.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.35 4.35 45000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 1 1
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 2 1
10639280 10.1021/jm990345w Fibroblast growth factor receptor 1 1
10639280 10.1021/jm990345w Vascular endothelial growth factor receptor 1
10639280 10.1021/jm990345w Fibroblast growth factor receptor 1
10639280 10.1021/jm990345w HUVEC 1

Data from ChEMBL 36 via Core Engine