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Compound Detail

CHEMBL4062069

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COc1ccccc1Oc1ccc2c(c1)S(=O)(=O)NCN2C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4062069
Phase Preclinical
Structure Type MOL
InChI Key AFLITIUHUYYIBT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
2.17
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16N2O4S
MW 320.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.48

Literature References

PubMed DOI Target Context # Activities
29256599 10.1021/acs.jmedchem.7b01323 Glutamate receptor 2 2

Data from ChEMBL 36 via Core Engine