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Compound Detail

CHEMBL4105609

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O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cc(Cl)cc2c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4105609
Phase Preclinical
Structure Type MOL
InChI Key PJHPBIGHDCTSAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

450.3
MW (Da)
6.32
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H11Cl2F2NO2S
MW 450.29
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
28212015 10.1021/acs.jmedchem.6b01858 Metabotropic glutamate receptor 5 2
28212015 10.1021/acs.jmedchem.6b01858 Liver 2

Data from ChEMBL 36 via Core Engine