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Compound Detail

CHEMBL3923618

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O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2

Basic Information

ChEMBL ID CHEMBL3923618
Phase Preclinical
Structure Type MOL
InChI Key BYUZCRJHSPUIHJ-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

350.3
MW (Da)
3.29
ALogP
4
HBA
1
HBD
75.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13F3N4O2
MW 350.30
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.53

Activity Summary

IC50 3 meas. best 7.89
Kd 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.89 7.8867 13.0 3
Fibroblast growth factor receptor 4
CHEMBL3973
Kd 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29541363 10.1021/acsmedchemlett.7b00485 Fibroblast growth factor receptor 4 5
32930584 10.1021/acs.jmedchem.0c01019 ADMET 4
32930584 10.1021/acs.jmedchem.0c01019 Fibroblast growth factor receptor 4 3
29541363 10.1021/acsmedchemlett.7b00485 No relevant target 2
30565923 10.1021/acs.jmedchem.8b01153 Fibroblast growth factor receptor 4 2
32930584 10.1021/acs.jmedchem.0c01019 No relevant target 2

Data from ChEMBL 36 via Core Engine