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Compound Detail

CHEMBL342475

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CCn1c(=O)c(-c2ccsc2)cc2cnc(Nc3ccccc3)nc21

Basic Information

ChEMBL ID CHEMBL342475
Phase Preclinical
Structure Type MOL
InChI Key WPUHUROYCYWEDW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.28
ALogP
6
HBA
1
HBD
59.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N4OS
MW 348.43
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.76

Activity Summary

IC50 2 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 6.39 6.39 410.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL3074
IC50 4.39 4.39 41000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9784112 10.1021/jm980398y C6 3
9784112 10.1021/jm980398y Platelet-derived growth factor receptor (PDGFr) 2
9784112 10.1021/jm980398y Platelet-derived growth factor receptor 1
9784112 10.1021/jm980398y Fibroblast growth factor receptor 1
9784112 10.1021/jm980398y Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine