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Compound Detail

CHEMBL204409

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COc1cc2ncnc(Oc3ccc(N/C(S)=N/Cc4ccccc4)cc3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL204409
Phase Preclinical
Structure Type MOL
InChI Key COGIYNUARZWUAJ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
5.34
ALogP
6
HBA
2
HBD
77.9
PSA (Ų)
0.23
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O3S
MW 446.53
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.97

Activity Summary

IC50 2 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-derived growth factor receptor alpha
CHEMBL2007
IC50 7.34 7.34 46.0 1
Mast/stem cell growth factor receptor Kit
CHEMBL1936
IC50 6.52 6.52 303.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16570914 10.1021/jm0506423 Platelet-derived growth factor receptor alpha 1
16570914 10.1021/jm0506423 Mast/stem cell growth factor receptor Kit 1

Data from ChEMBL 36 via Core Engine