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Compound Detail

CHEMBL5089372

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C=CC(=O)N1CCN(CCCn2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)CC1

Basic Information

ChEMBL ID CHEMBL5089372
Phase Preclinical
Structure Type MOL
InChI Key HHEGTWYVXJJAQX-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
1.81
ALogP
9
HBA
1
HBD
111.6
PSA (Ų)
0.52
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 C23H29N7O3
MW 451.53
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.90

Activity Summary

IC50 4 meas. best 6.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.49 6.49 323.0 1
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 6.46 6.46 351.0 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 6.38 6.38 414.0 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 5.33 5.33 4700.0 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