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Compound Detail

CHEMBL5267668

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CN1CCN(c2ccc(Nc3ncc4ccn(S(=O)(=O)c5ccccc5Cl)c4n3)cc2)CC1

Basic Information

ChEMBL ID CHEMBL5267668
Phase Preclinical
Structure Type MOL
InChI Key RFCPPHAPBOHKPX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

483.0
MW (Da)
3.82
ALogP
8
HBA
1
HBD
83.4
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23ClN6O2S
MW 483.00
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.73

Activity Summary

IC50 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.47 7.47 33.6 1
Huh-7
CHEMBL614039
IC50 6.35 6.35 451.2 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
36480917 10.1021/acs.jmedchem.2c01420 Huh-7 1

Data from ChEMBL 36 via Core Engine