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Compound Detail

CHEMBL309270

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CN(C)C(=S)Oc1ccc2c(c1)ncn2-c1ccccc1

Basic Information

ChEMBL ID CHEMBL309270
Phase Preclinical
Structure Type MOL
InChI Key VQEHSXWQZHZMJJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.25
ALogP
4
HBA
0
HBD
30.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3OS
MW 297.38
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.39

Activity Summary

IC50 1 meas. best 5.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor beta
CHEMBL2749
IC50 5.34 5.34 4600.0 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