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

CHEMBL342375

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=C1c2ccccc2C(Cc2ccncc2)(Cc2ccncc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL342375
Phase Preclinical
Structure Type MOL
InChI Key KHJFBUUFMUBONL-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
4.79
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H20N2O
MW 376.46
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.08

Activity Summary

EC50 1 meas. best 6.35
IC50 1 meas. best 7.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL2476
 IC50 7.26 7.26 55.0 1
Rattus norvegicus
CHEMBL376
 EC50 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Potassium voltage-gated channel subfamily KQT member 2 IC50 = 55.0 nM 7.26 Inhibition of Kv7.2 in human HEK293 cells incubated for 1 hr by thallium flux as... 31668424
Rattus norvegicus EC50 = 450.0 nM 6.35 Compound was tested in vitro for its ability to enhance the K+-stimulated releas... 9804701

Literature References

PubMed DOI Target Context # Activities
9804701 10.1021/jm9803424 Rattus norvegicus 4
35972998 10.1021/acs.jmedchem.2c00911 Mus musculus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
31668424 10.1016/j.bmcl.2019.126681 No relevant target 2
31668424 10.1016/j.bmcl.2019.126681 Cytochrome P450 3A4 2
31668424 10.1016/j.bmcl.2019.126681 ADMET 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
31668424 10.1016/j.bmcl.2019.126681 Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) 1
31668424 10.1016/j.bmcl.2019.126681 Potassium voltage-gated channel subfamily KQT member 2 1
31668424 10.1016/j.bmcl.2019.126681 Voltage-gated inwardly rectifying potassium channel KCNH2 1
31668424 10.1016/j.bmcl.2019.126681 HepG2 1
31668424 10.1016/j.bmcl.2019.126681 HEK293 1
31668424 10.1016/j.bmcl.2019.126681 Alpha-1A adrenergic receptor 1
31668424 10.1016/j.bmcl.2019.126681 Adrenergic receptor alpha-1 1
31668424 10.1016/j.bmcl.2019.126681 Protein polybromo-1 1
31668424 10.1016/j.bmcl.2019.126681 D(3) dopamine receptor 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine