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Compound Detail

CHEMBL4465628

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COc1ccc(S(=O)(=O)N(CCCC(O)c2ccc(F)cc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465628
Phase Preclinical
Structure Type MOL
InChI Key MMDSFLSQVYLSBS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

429.5
MW (Da)
4.54
ALogP
4
HBA
1
HBD
66.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24FNO4S
MW 429.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
31972088 10.1021/acs.jmedchem.9b01779 dengue virus type 2 2
31972088 10.1021/acs.jmedchem.9b01779 BE(2)-C 1
31972088 10.1021/acs.jmedchem.9b01779 Calcium/calmodulin-dependent protein kinase type II subunit alpha 1

Data from ChEMBL 36 via Core Engine