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Compound Detail

CHEMBL5268467

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C=CC(=O)NCCn1nc(C#Cc2cc(OC)cc(OC)c2)c2c(N)ncnc21

Basic Information

ChEMBL ID CHEMBL5268467
Phase Preclinical
Structure Type MOL
InChI Key JKAIRYVBMOVQIY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

392.4
MW (Da)
1.13
ALogP
8
HBA
2
HBD
117.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N6O3
MW 392.42
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.83

Activity Summary

IC50 3 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 6.68 6.68 207.0 1
SNU-16
CHEMBL613529
IC50 6.44 6.44 362.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 5.15 5.15 7010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37077386 10.1021/acsmedchemlett.3c00006 Fibroblast growth factor receptor 2 1
37077386 10.1021/acsmedchemlett.3c00006 Vascular endothelial growth factor receptor 2 1
37077386 10.1021/acsmedchemlett.3c00006 SNU-16 1
37077386 10.1021/acsmedchemlett.3c00006 SNU1 1

Data from ChEMBL 36 via Core Engine