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Compound Detail

CHEMBL5291099

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COc1cccc(S(=O)(=O)n2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1OC

Basic Information

ChEMBL ID CHEMBL5291099
Phase Preclinical
Structure Type MOL
InChI Key LINADDGAJUVTDP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
3.18
ALogP
10
HBA
1
HBD
101.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N6O4S
MW 508.60
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.29

Activity Summary

IC50 1 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 5.87 5.87 1343.0 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