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Compound Detail

CHEMBL4743257

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C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)ccc3F)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4743257
Phase Preclinical
Structure Type MOL
InChI Key XBJSSHAYDMFKEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.4
MW (Da)
4.15
ALogP
5
HBA
3
HBD
109.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18FN5O3
MW 431.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 6.35 6.35 446.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 446.0 nM 6.35 Inhibition of FGFR4 (unknown origin) 33618175

Literature References

PubMed DOI Target Context # Activities
33618175 10.1016/j.ejmech.2021.113219 Fibroblast growth factor receptor 1 1
33618175 10.1016/j.ejmech.2021.113219 Fibroblast growth factor receptor 4 1

Data from ChEMBL 36 via Core Engine