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Compound Detail

CHEMBL5592635

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O=C(NC1(C(=O)Nc2cccc(Br)c2)CCCCC1)Oc1ccccc1

Basic Information

ChEMBL ID CHEMBL5592635
Phase Preclinical
Structure Type MOL
InChI Key HKLSUVQOLLDBPP-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

417.3
MW (Da)
4.88
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21BrN2O3
MW 417.30
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.12

Activity Summary

IC50 2 meas. best 6.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 6.25 6.25 557.4 1
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.7 5.7 2010.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38325006 10.1016/j.ejmech.2024.116208 Transient receptor potential cation channel subfamily V member 1 1
38325006 10.1016/j.ejmech.2024.116208 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine