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Compound Detail

CHEMBL5566902

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O=C(NCCc1c[nH]c2ccccc12)Oc1ccc(-c2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL5566902
Phase Preclinical
Structure Type MOL
InChI Key NKAHYQDHCPIVOJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
5.17
ALogP
2
HBA
2
HBD
54.1
PSA (Ų)
0.52
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N2O2
MW 356.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.51

Activity Summary

IC50 1 meas. best 5.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.3 5.3 4990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 4990.0 nM 5.3 Inhibition of human FAAH by fluorescence-based cayman assay 38325006

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