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Compound Detail

CHEMBL4456477

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COc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4456477
Phase Preclinical
Structure Type MOL
InChI Key FLJPYVIDKPSUTK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

396.5
MW (Da)
3.43
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O4S
MW 396.47
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.86

Literature References

PubMed DOI Target Context # Activities
30738655 10.1016/j.bmc.2019.01.043 Bacterial urease 1

Data from ChEMBL 36 via Core Engine