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Compound Detail

CHEMBL5274760

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CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccn(C)n5)c4n3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5274760
Phase Preclinical
Structure Type MOL
InChI Key KKZLZOHIFUHFSI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
1.90
ALogP
10
HBA
1
HBD
101.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N8O2S
MW 452.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.62

Activity Summary

IC50 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 6.9 6.9 127.0 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