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Compound Detail

CHEMBL225379

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CCCCCCc1ccc(NC(=O)NC(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL225379
Phase Preclinical
Structure Type MOL
InChI Key LKIHDOVLNDPTJZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

544.3
MW (Da)
8.25
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28Br2N2O
MW 544.33
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.89

Literature References

PubMed DOI Target Context # Activities
16279809 10.1021/jm0503906 Cannabinoid receptor 1 2
16279809 10.1021/jm0503906 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine