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Compound Detail

CHEMBL4084830

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N#Cc1ccc2c(-c3ccc(Cl)cc3)c(S(=O)(=O)c3ccc(F)cc3)cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4084830
Phase Preclinical
Structure Type MOL
InChI Key XJSYBGUWCVYNIB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.9
MW (Da)
5.40
ALogP
4
HBA
0
HBD
70.8
PSA (Ų)
0.41
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 C22H12ClFN2O2S
MW 422.87
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.62

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