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Compound Detail

CHEMBL593834

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Clc1cccc(-c2ccc(NC3CCOCC3)nn2)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593834
Phase Preclinical
Structure Type MOL
InChI Key KTNOERNSGGRPNE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

324.2
MW (Da)
4.04
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.93
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 C15H15Cl2N3O
MW 324.21
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 2 1
20005703 10.1016/j.bmcl.2009.11.117 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine