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Compound Detail

CHEMBL5078978

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C=CC(=O)N1CCN(CCCCCn2nc(-c3coc4ccccc34)c3c(N)ncnc32)CC1

Basic Information

ChEMBL ID CHEMBL5078978
Phase Preclinical
Structure Type MOL
InChI Key FMBMIFDHTVZWEK-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
3.32
ALogP
8
HBA
1
HBD
106.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N7O2
MW 459.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.73

Activity Summary

IC50 3 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 6.46 6.46 344.0 1
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 5.73 5.73 1864.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 5.68 5.68 2109.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34129329 10.1021/acs.jmedchem.1c00174 Fibroblast growth factor receptor 1 1
34129329 10.1021/acs.jmedchem.1c00174 Fibroblast growth factor receptor 2 1
34129329 10.1021/acs.jmedchem.1c00174 Fibroblast growth factor receptor 3 1
34129329 10.1021/acs.jmedchem.1c00174 Fibroblast growth factor receptor 4 1

Data from ChEMBL 36 via Core Engine