Compound Detail
CHEMBL4278049
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CS(=O)(=O)c1cccc([C@H](CO)NC(=O)c2cc(S(F)(F)(F)(F)F)ccc2Oc2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL4278049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVODCWXWVPXEIC-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
537.5
MW (Da)
6.00
ALogP
5
HBA
2
HBD
92.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.7
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 | 7.7 | 7.7 | 20.0 | 1 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 CHEMBL3883311 | EC50 | 7.1 | 7.1 | 80.0 | 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 | = | 20.0 | nM | 7.7 | Activation of human Kv7.2/7.3 by patch clamp method | 30327146 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 | EC50 | = | 80.0 | nM | 7.1 | Activation of human Kv7.3/7.5 by patch clamp method | 30327146 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | 2 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Mus musculus | 2 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | No relevant target | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Voltage-gated potassium channel KCNQ3/KCNQ5 | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Potassium voltage-gated channel subfamily KQT member 4 | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | Unchecked | 1 |
| 30327146 | 10.1016/j.bmcl.2018.09.036 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine