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Compound Detail

CHEMBL2153657

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O=C(O)CN/C(=N\S(=O)(=O)c1ccc(Cl)cc1)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2153657
Phase Preclinical
Structure Type MOL
InChI Key ZLEPXCBJUAFHHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

531.4
MW (Da)
4.22
ALogP
4
HBA
2
HBD
111.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20Cl2N4O4S
MW 531.42
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.78

Literature References

PubMed DOI Target Context # Activities
22959249 10.1016/j.bmcl.2012.08.004 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine