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Compound Detail

CHEMBL523749

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CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523749
Phase Preclinical
Structure Type MOL
InChI Key OITHNNNIGWHOAY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
6.52
ALogP
2
HBA
1
HBD
49.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H31BrN2O2
MW 459.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
19143566 10.1021/jm801044g Cannabinoid receptor 1 1
19143566 10.1021/jm801044g Cannabinoid receptor 2 1
19143566 10.1021/jm801044g Unchecked 1

Data from ChEMBL 36 via Core Engine