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Compound Detail

CHEMBL5568507

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C=CC(=O)NC12CC(c3c(-c4ccc(Oc5nccc(C)n5)c(F)c4)c4c(N)ncnc4n3C)(C1)C2

Basic Information

ChEMBL ID CHEMBL5568507
Phase Preclinical
Structure Type MOL
InChI Key ALWJAEPQXBSRBT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.5
MW (Da)
3.72
ALogP
8
HBA
2
HBD
120.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H24FN7O2
MW 485.52
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 6.56

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BaF3
CHEMBL614524
IC50 6.56 6.56 275.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BaF3 IC50 = 275.0 nM 6.56 Antiproliferation activity against mouse BaF3 cells expressing FGFR2 incubated f... 38718625

Literature References

PubMed DOI Target Context # Activities
38718625 10.1016/j.ejmech.2024.116473 BaF3 3

Data from ChEMBL 36 via Core Engine