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Compound Detail

CHEMBL471155

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O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCN(c2nc(-c3ccccc3)ns2)CC1

Basic Information

ChEMBL ID CHEMBL471155
Phase Preclinical
Structure Type MOL
InChI Key QEGUQEWDSPAOAV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.47
ALogP
7
HBA
1
HBD
104.5
PSA (Ų)
0.52
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 C19H18N6O3S
MW 410.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -2.20

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL2243
IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fatty-acid amide hydrolase 1 IC50 = 10000.0 nM 5.0 Inhibition of human FAAH preincubated for 20 mins 18693015

Literature References

PubMed DOI Target Context # Activities
18693015 10.1016/j.bmcl.2008.07.081 Fatty-acid amide hydrolase 1 2

Data from ChEMBL 36 via Core Engine