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Compound Detail

CHEMBL139633

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Cn1c(=O)c(-c2cccs2)cc2cnc(Nc3ccccc3)nc21

Basic Information

ChEMBL ID CHEMBL139633
Phase Preclinical
Structure Type MOL
InChI Key PUVJHDNOWHKNSB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
3.80
ALogP
6
HBA
1
HBD
59.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N4OS
MW 334.40
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor
CHEMBL2096980
IC50 6.02 6.02 950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
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