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Compound Detail

CHEMBL5419615

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O=C(Oc1cccc(-c2nn[nH]n2)c1)N1CCN(CCCc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL5419615
Phase Preclinical
Structure Type MOL
InChI Key UBHITROHEGMUEF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

392.5
MW (Da)
2.62
ALogP
6
HBA
1
HBD
87.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N6O2
MW 392.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.49

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 6.6 6.6 253.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36462439 10.1016/j.ejmech.2022.114952 No relevant target 4
36462439 10.1016/j.ejmech.2022.114952 Fatty-acid amide hydrolase 1 1
36462439 10.1016/j.ejmech.2022.114952 Monoglyceride lipase 1
36462439 10.1016/j.ejmech.2022.114952 Cannabinoid receptor 1 1
36462439 10.1016/j.ejmech.2022.114952 Cannabinoid receptor 2 1

Data from ChEMBL 36 via Core Engine