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Compound Detail

CHEMBL5567326

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

Basic Information

ChEMBL ID CHEMBL5567326
Phase Preclinical
Structure Type MOL
InChI Key BZVYHORTFXHHNC-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.9
MW (Da)
4.77
ALogP
3
HBA
2
HBD
67.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21ClN2O3
MW 372.85
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.26

Activity Summary

IC50 2 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 6.05 6.05 881.9 1
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.29 5.29 5070.0 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