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Compound Detail

CHEMBL3423115

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Cn1nc(C(N)=O)cc1-c1ccc(OC(=O)NC2CCCCC2)cc1

Basic Information

ChEMBL ID CHEMBL3423115
Phase Preclinical
Structure Type MOL
InChI Key KRXAIGCGASHUAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
2.61
ALogP
5
HBA
2
HBD
99.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O3
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 6.68 6.68 209.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26002335 10.1016/j.ejmech.2015.04.064 Fatty-acid amide hydrolase 1 1

Data from ChEMBL 36 via Core Engine