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Compound Detail

CHEMBL443800

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c1ccc(-n2cnc3cc(SCCCN4CCOCC4)ccc32)cc1

Basic Information

ChEMBL ID CHEMBL443800
Phase Preclinical
Structure Type MOL
InChI Key HCFYTLOODORVLY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.5
MW (Da)
3.84
ALogP
5
HBA
0
HBD
30.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23N3OS
MW 353.49
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -2.01

Activity Summary

IC50 1 meas. best 4.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 4.62 4.62 24000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10395478 10.1021/jm980658b Platelet-derived growth factor receptor beta 1
10395478 10.1021/jm980658b Fibroblast growth factor receptor 1 1
10395478 10.1021/jm980658b Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine