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Compound Detail

CHEMBL4228424

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CC(C)c1ccc(OC(=O)Cc2ccc(OC/C=C/S(=O)(=O)c3ccccc3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228424
Phase Preclinical
Structure Type MOL
InChI Key NVHZAWJXRPTKSR-NGYBGAFCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.6
MW (Da)
5.32
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.33
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 C26H26O5S
MW 450.56
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
29609908 10.1016/j.bmcl.2018.03.039 Trypanosoma brucei 1
29609908 10.1016/j.bmcl.2018.03.039 HepG2 1
29609908 10.1016/j.bmcl.2018.03.039 Rhodesain 1

Data from ChEMBL 36 via Core Engine