Compound Detail
CHEMBL3621636
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
Basic Information
| ChEMBL ID | CHEMBL3621636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHJREOQCERRAME-OWOJBTEDSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
310.1
MW (Da)
1.53
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Potassium voltage-gated channel subfamily A member 6 CHEMBL5279 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Potassium voltage-gated channel subfamily A member 4 CHEMBL4205 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of human Kv1.3 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 6 | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human Kv1.6 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 4 | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of human Kv1.4 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 7600.0 | nM | 5.12 | Inhibition of human Kv1.5 expressed in CHO cells at -80 mV holding potential by ... | 28802123 |
| Unchecked | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of yeast chymotrypsin-like 20S proteasome using suc-LLVY-AMC as subst... | 30281303 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32628481 | 10.1021/acs.jnatprod.0c00223 | SH-SY5Y | 3 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 1 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 2 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 3 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 4 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Potassium voltage-gated channel subfamily A member 6 | 2 |
| - | 10.1039/C4MD00286E | HepG2 | 1 |
| 28802123 | 10.1016/j.ejmech.2017.08.015 | Voltage-gated delayed rectifier potassium channel KCNH1 | 1 |
| 30281303 | 10.1021/acs.jnatprod.8b00533 | Unchecked | 1 |
| 32628481 | 10.1021/acs.jnatprod.0c00223 | Unchecked | 1 |
| 32628481 | 10.1021/acs.jnatprod.0c00223 | BV-2 | 1 |
| 28628823 | 10.1016/j.ejmech.2017.06.005 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine