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Compound Detail

CHEMBL5289858

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COc1cccc(S(=O)(=O)c2c[nH]c3cnc(Nc4ccc(N5CCOCC5)cc4)nc23)c1

Basic Information

ChEMBL ID CHEMBL5289858
Phase Preclinical
Structure Type MOL
InChI Key KIAYHDTVJSCBLA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
3.38
ALogP
8
HBA
2
HBD
109.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N5O4S
MW 465.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 5.7 5.7 1975.0 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