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Compound Detail

CHEMBL5288254

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COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(CN5CCN(C)CC5)cc4)nc32)c1

Basic Information

ChEMBL ID CHEMBL5288254
Phase Preclinical
Structure Type MOL
InChI Key FPVWUDXGLJDGKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

492.6
MW (Da)
3.17
ALogP
9
HBA
1
HBD
92.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O3S
MW 492.61
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.56

Activity Summary

IC50 1 meas. best 6.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 6.88 6.88 132.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36480917 10.1021/acs.jmedchem.2c01420 Fibroblast growth factor receptor 4 1

Data from ChEMBL 36 via Core Engine