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Compound Detail

CHEMBL3808948

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O=C1Nc2ccc(CN3C(=O)CSC3=O)cc2/C1=C/c1cc(CN2CCOCC2)c[nH]1

Basic Information

ChEMBL ID CHEMBL3808948
Phase Preclinical
Structure Type MOL
InChI Key AREYWCZYVPSHGS-NVMNQCDNSA-N
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
2.54
ALogP
6
HBA
2
HBD
94.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O4S
MW 438.51
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.01

Activity Summary

IC50 6 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 9.0 9.0 1.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 8.15 7.7 7.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.82 7.82 15.0 1
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 7.77 7.77 17.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26555154 10.1021/acs.jmedchem.5b01273 Tyrosine-protein kinase receptor UFO 2
38733884 10.1016/j.ejmech.2024.116477 Hepatocyte growth factor receptor 1
38733884 10.1016/j.ejmech.2024.116477 Fibroblast growth factor receptor 1 1
38733884 10.1016/j.ejmech.2024.116477 Fibroblast growth factor receptor 2 1
38733884 10.1016/j.ejmech.2024.116477 Fibroblast growth factor receptor 3 1

Data from ChEMBL 36 via Core Engine