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

CHEMBL4761929

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
O=C(Nc1ccccc1-c1nnn[nH]1)c1ccc2c(c1)CCCC2

Basic Information

ChEMBL ID CHEMBL4761929
Phase Preclinical
Structure Type MOL
InChI Key QUJDEAKOKUDPMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
3.00
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5O
MW 319.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.76

Activity Summary

EC50 1 meas. best 4.88

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 2
CHEMBL2321615
EC50 4.88 4.88 13100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily K member 2 EC50 = 13100.0 nM 4.88 Activation of human TREK1 by thallium flux mobilization assay 31072652

Literature References

PubMed DOI Target Context # Activities
31072652 10.1016/j.bmcl.2019.04.048 Potassium channel subfamily K member 10 2
31072652 10.1016/j.bmcl.2019.04.048 Potassium channel subfamily K member 2 2

Data from ChEMBL 36 via Core Engine