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Compound Detail

CHEMBL3628794

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CCOC(=O)Nc1ccc(Nc2ncnc3sccc23)cc1C

Basic Information

ChEMBL ID CHEMBL3628794
Phase Preclinical
Structure Type MOL
InChI Key ZIKVLGJYVJWPSD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
4.31
ALogP
6
HBA
2
HBD
76.1
PSA (Ų)
0.75
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 C16H16N4O2S
MW 328.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.38

Literature References

PubMed DOI Target Context # Activities
26526740 10.1016/j.bmc.2015.10.035 Epidermal growth factor receptor 1
26526740 10.1016/j.bmc.2015.10.035 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine