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Compound Detail

CHEMBL2153649

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

Basic Information

ChEMBL ID CHEMBL2153649
Phase Preclinical
Structure Type MOL
InChI Key MLHWGNKOTOBZKF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

497.0
MW (Da)
3.81
ALogP
4
HBA
2
HBD
111.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21ClN4O4S
MW 496.98
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.82

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