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Compound Detail

CHEMBL347086

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COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL347086
Phase Preclinical
Structure Type MOL
InChI Key UCSSQROSBFPVKH-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
3.91
ALogP
7
HBA
2
HBD
85.7
PSA (Ų)
0.59
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 C18H17ClFN3O4
MW 393.80
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.09

Activity Summary

IC50 4 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 8.4 8.4 4.0 1
Fibroblast growth factor receptor
CHEMBL2095217
IC50 6.1 6.1 800.0 1
HUVEC
CHEMBL613979
IC50 5.3 5.3 5000.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.13 5.13 7400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10639280 10.1021/jm990345w Mus musculus 2
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 Unchecked 1
10639280 10.1021/jm990345w VEGF-receptor 2 and 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