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Compound Detail

CHEMBL573086

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Cc1c(C(=O)Nc2ccc(Cl)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-n1c(C)ccc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL573086
Phase Preclinical
Structure Type MOL
InChI Key DAEACDZIIITDEH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

473.8
MW (Da)
6.80
ALogP
4
HBA
1
HBD
51.9
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19Cl3N4O
MW 473.79
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.93

Literature References

PubMed DOI Target Context # Activities
19595596 10.1016/j.bmc.2009.06.027 Cannabinoid receptor 2 1
19595596 10.1016/j.bmc.2009.06.027 Cannabinoid receptor 1 1

Data from ChEMBL 36 via Core Engine