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Compound Detail

CHEMBL5269498

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COc1cc(OC)cc([SH](C)(=O)Nc2cc(Nc3ccc(N4CCOCC4)cc3)ncc2C#N)c1

Basic Information

ChEMBL ID CHEMBL5269498
Phase Preclinical
Structure Type MOL
InChI Key RIAJZVVPQKQWQG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
3.58
ALogP
8
HBA
3
HBD
108.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O4S
MW 495.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 5.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 5.66 5.66 2195.0 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