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Compound Detail

CHEMBL5566209

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COCCNc1cc(NC(=O)c2cn(C)c3cc(-c4cnc(C)s4)c(C=O)nc23)ncc1C#N

Basic Information

ChEMBL ID CHEMBL5566209
Phase Preclinical
Structure Type MOL
InChI Key HRZZSKIPVUUZFG-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
3.40
ALogP
10
HBA
2
HBD
134.8
PSA (Ų)
0.29
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N7O3S
MW 475.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.32

Activity Summary

IC50 4 meas. best 8.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.14 8.14 7.2 1
BaF3
CHEMBL614524
IC50 7.9 7.9 12.7 1
Hep 3B2
CHEMBL4296437
IC50 6.4 6.4 400.0 1
NCI-H1299
CHEMBL612255
IC50 5.23 5.23 5900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38348819 10.1021/acs.jmedchem.3c01810 Fibroblast growth factor receptor 4 1
38348819 10.1021/acs.jmedchem.3c01810 BaF3 1
38348819 10.1021/acs.jmedchem.3c01810 Hep 3B2 1
38348819 10.1021/acs.jmedchem.3c01810 NCI-H1299 1

Data from ChEMBL 36 via Core Engine