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Compound Detail

CHEMBL5575114

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O=C(Oc1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccccc23)C1

Basic Information

ChEMBL ID CHEMBL5575114
Phase Preclinical
Structure Type MOL
InChI Key DRRCLPRPNIMFKT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
5.39
ALogP
2
HBA
1
HBD
45.3
PSA (Ų)
0.52
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20N2O2
MW 368.44
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.61

Activity Summary

IC50 2 meas. best 6.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
IC50 6.06 6.06 867.2 1
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.5 5.5 3180.0 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