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Compound Detail

CHEMBL373365

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CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C(C)C)o4)c(C(C)C)c23)c(F)cc1F

Basic Information

ChEMBL ID CHEMBL373365
Phase Preclinical
Structure Type MOL
InChI Key VLXIXYDIKYYMAQ-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

471.5
MW (Da)
4.34
ALogP
9
HBA
2
HBD
119.5
PSA (Ų)
0.38
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 C22H23F2N7O3
MW 471.47
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.56

Activity Summary

IC50 4 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor
CHEMBL2095217
IC50 9.0 9.0 1.0 1
Vascular endothelial growth factor receptor
CHEMBL2095227
IC50 7.75 7.75 18.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.66 7.66 22.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.41 7.41 39.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15943473 10.1021/jm0501275 Vascular endothelial growth factor receptor 2 1
15943473 10.1021/jm0501275 Fibroblast growth factor receptor 1 1
15943473 10.1021/jm0501275 Vascular endothelial growth factor receptor 1
15943473 10.1021/jm0501275 Fibroblast growth factor receptor 1

Data from ChEMBL 36 via Core Engine