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Compound Detail

CHEMBL291667

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Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccc(Cl)c3n2C)c(C(=O)Nc2ccccc2)c2cccc(Cl)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL291667
Phase Preclinical
Structure Type MOL
InChI Key XXZKVHUDQGDVAB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

631.6
MW (Da)
9.28
ALogP
6
HBA
2
HBD
68.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H24Cl2N4O2S2
MW 631.61
Aromatic Rings 6
Heavy Atoms 42
NP-Likeness -0.56

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