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Compound Detail

CHEMBL496578

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CCOc1ccc(N(CC(=O)N[C@@H](C)CC)S(=O)(=O)c2ccc(Br)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL496578
Phase Preclinical
Structure Type MOL
InChI Key XZXYNHFMRCYUJT-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

469.4
MW (Da)
3.96
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H25BrN2O4S
MW 469.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.95

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