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

CHEMBL2324344

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
CCCC(=O)C1CCN(c2ncnc3c2CN(C(=O)c2ccc(-c4ccccc4)cc2)CC3)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2324344
Phase Preclinical
Structure Type MOL
InChI Key CJZGRIRZVHNUSM-UHFFFAOYSA-N
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

468.6
MW (Da)
4.93
ALogP
5
HBA
0
HBD
66.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H32N4O2
MW 468.60
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.13

Activity Summary

IC50 7 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily K member 9
CHEMBL4295
 IC50 8.0 8.0 10.0 1
Potassium channel subfamily K member 9
CHEMBL2321614
 IC50 7.46 7.1767 35.0 3
Potassium channel subfamily K member 3
CHEMBL2321613
 IC50 6.52 6.52 300.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium channel subfamily K member 9 IC50 = 10.0 nM 8.0 Inhibition of rat TASK3 expressed in (FRT) epithelial cells by chamber based ele... 31260312
Potassium channel subfamily K member 9 IC50 = 35.0 nM 7.46 Inhibition of TASK-3 (unknown origin) 23121096
Potassium channel subfamily K member 9 IC50 = 35.0 nM 7.46 Inhibition of human TASK3 expressed in HEK293 cells by Qpatch HT platform based ... 31260312
Potassium channel subfamily K member 9 IC50 = 243.0 nM 6.61 Inhibition of human TASK3 expressed in Xenopus oocytes by whole cell voltage cla... 31260312
Potassium channel subfamily K member 3 IC50 = 300.0 nM 6.52 Inhibition of TASK-1 (unknown origin) 23121096
Potassium channel subfamily K member 3 IC50 = 300.0 nM 6.52 Inhibition of TASK-1 (unknown origin) expressed in CHO cells by thallium flux as... 25017033
Potassium channel subfamily K member 3 IC50 = 300.0 nM 6.52 Inhibition of human TASK1 expressed in HEK293 cells by Qpatch HT platform based ... 31260312

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 Fibroblast 6
- 10.6019/CHEMBL5303304 HEK-293T 5
- 10.6019/CHEMBL5303304 U2OS 4
31260312 10.1021/acs.jmedchem.9b00248 Potassium channel subfamily K member 9 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL5665443 Uracil-DNA glycosylase 1
23121096 10.1021/jm3011433 Potassium channel subfamily K member 9 1
- 10.6019/CHEMBL5665443 N-glycosylase/DNA lyase 1
- 10.6019/CHEMBL5665443 Endonuclease III-like protein 1 1
- 10.6019/CHEMBL5665443 Endonuclease 8-like 2 1
- 10.6019/CHEMBL5665443 Endonuclease 8-like 1 1
- 10.6019/CHEMBL5665443 Adenine DNA glycosylase 1
- 10.6019/CHEMBL5665443 DNA-3-methyladenine glycosylase 1
- 10.6019/CHEMBL5665443 Methyl-CpG-binding domain protein 4 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31260312 10.1021/acs.jmedchem.9b00248 Potassium channel subfamily K member 3 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
25017033 10.1016/j.bmcl.2014.06.032 Unchecked 1
25017033 10.1016/j.bmcl.2014.06.032 Potassium channel subfamily K member 3 1

Data from ChEMBL 36 via Core Engine