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Compound Detail

CHEMBL220869

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COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)nc(OC)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL220869
Phase Preclinical
Structure Type MOL
InChI Key ZUAQQZZAZWTBEH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

513.4
MW (Da)
3.62
ALogP
8
HBA
2
HBD
128.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18Cl2N4O6S
MW 513.36
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.02

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
16982193 10.1016/j.bmcl.2006.08.061 Integrin alpha-V/beta-3 1

Data from ChEMBL 36 via Core Engine