Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4520184

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NC(=O)c1cn(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)nn1

Basic Information

ChEMBL ID CHEMBL4520184
Phase Preclinical
Structure Type MOL
InChI Key MPOOJAKMOBNILB-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

435.5
MW (Da)
1.28
ALogP
8
HBA
2
HBD
118.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25N7O3
MW 435.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 6.12
Ki 1 meas. best 6.71

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fatty-acid amide hydrolase 1
CHEMBL3455
Ki 6.71 6.71 194.0 1
Fatty-acid amide hydrolase 1
CHEMBL3455
IC50 6.12 6.12 757.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
31518969 10.1016/j.ejmech.2019.111674 Fatty-acid amide hydrolase 1 2
31518969 10.1016/j.ejmech.2019.111674 D(2) dopamine receptor 2
31518969 10.1016/j.ejmech.2019.111674 D(3) dopamine receptor 2
31518969 10.1016/j.ejmech.2019.111674 Voltage-gated inwardly rectifying potassium channel KCNH2 2

Data from ChEMBL 36 via Core Engine