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Compound Detail

CHEMBL3407533

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CCCCOc1cc(Br)cc2cc(C(=O)NN3CCOCC3)c(=O)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3407533
Phase Preclinical
Structure Type MOL
InChI Key JQTDZQNKKMHKLE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.3
MW (Da)
2.71
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21BrN2O5
MW 425.28
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.93

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