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Compound Detail

CHEMBL224515

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O=C1NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224515
Phase Preclinical
Structure Type MOL
InChI Key ZNLUNHMGBUNPPT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

486.2
MW (Da)
5.21
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14Br2N2O2
MW 486.16
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.78

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