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Compound Detail

CHEMBL3798487

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O=C(Oc1cccnc1)N1CCC(c2nc(C3=NOC(c4ccccc4)C3)cs2)CC1

Basic Information

ChEMBL ID CHEMBL3798487
Phase Preclinical
Structure Type MOL
InChI Key DJQHNXUZIKWOKV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
4.78
ALogP
7
HBA
0
HBD
76.9
PSA (Ų)
0.59
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 C23H22N4O3S
MW 434.52
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 10.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 10.7 10.7 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27130358 10.1016/j.bmcl.2016.02.061 Fatty-acid amide hydrolase 1 3
27130358 10.1016/j.bmcl.2016.02.061 Mus musculus 1

Data from ChEMBL 36 via Core Engine