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Compound Detail

CHEMBL3410714

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CCCOc1cc(Br)cc2cc(C(=O)NC3CCCCC3)c(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410714
Phase Preclinical
Structure Type MOL
InChI Key LFOLMZAFPOQKOJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.41
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.74
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 C19H22BrNO4
MW 408.29
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.72

Literature References

PubMed DOI Target Context # Activities
25644673 10.1016/j.ejmech.2015.01.054 Cannabinoid receptor 1 1
25644673 10.1016/j.ejmech.2015.01.054 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine