Compound Detail
CHEMBL4277250
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O=C(N[C@@H](CO)c1cccc(C(F)(F)F)c1)[C@H]1CC(F)(F)CC[C@@H]1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4277250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYRYLLQXWGDEKJ-QYZOEREBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
427.4
MW (Da)
5.07
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.65
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 4 CHEMBL3576 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) CHEMBL2221348 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 CHEMBL3883311 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily KQT member 4 | EC50 | = | 20.0 | nM | 7.7 | Activation of human Kv7.4 by patch clamp method | 30327146 |
| Voltage-gated potassium channel, KQT; KCNQ2(Kv7.2)/KCNQ3(Kv7.3) | EC50 | = | 50.0 | nM | 7.3 | Activation of human Kv7.2/7.3 by patch clamp method | 30327146 |
| Voltage-gated potassium channel KCNQ3/KCNQ5 | EC50 | = | 250.0 | nM | 6.6 | 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 | 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 |
Data from ChEMBL 36 via Core Engine