Compound Detail
CHEMBL1703636
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Basic Information
| ChEMBL ID | CHEMBL1703636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIQGKPGBLYKQBB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
257.4
MW (Da)
3.99
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 7.4 | 7.4 | 40.0 | 1 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 CHEMBL3883311 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Potassium voltage-gated channel subfamily KQT member 4 CHEMBL3576 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 40.0 | nM | 7.4 | Activation of human Kv7.2/7.3 by patch clamp method | 30327146 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 | EC50 | = | 500.0 | nM | 6.3 | Activation of human Kv7.3/7.5 by patch clamp method | 30327146 |
| Potassium voltage-gated channel subfamily KQT member 4 | EC50 | = | 1600.0 | nM | 5.8 | Activation of human Kv7.4 by patch clamp method | 30327146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5724801 | HEK-293T | 320 |
| - | 10.6019/CHEMBL5724801 | U2OS | 320 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 320 |
| - | 10.6019/CHEMBL5303304 | U2OS | 5 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 5 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 3 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Unchecked | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Potassium voltage-gated channel subfamily KQT member 4 | 1 |
Data from ChEMBL 36 via Core Engine