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Compound Detail

CHEMBL64231

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Cn1c(SSCc2ccccc2)c(C(=O)Nc2ccccc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL64231
Phase Preclinical
Structure Type MOL
InChI Key KFXYCDPZWVGSPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.6
MW (Da)
6.37
ALogP
4
HBA
1
HBD
34.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2OS2
MW 404.56
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
8027985 10.1021/jm00039a016 Epidermal growth factor receptor 1
8027985 10.1021/jm00039a016 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine