Compound Detail
CHEMBL310916
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Basic Information
| ChEMBL ID | CHEMBL310916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUHVWUKXIRHANR-CMDGGOBGSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
4.05
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 6.4
EC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | Kd | 6.4 | 6.4 | 400.0 | 1 |
| Homo sapiens CHEMBL372 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.92 | 5.4033 | 1200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 | EC50 | = | 400.0 | nM | 6.4 | Inhibition in Kv1.3 expressed in human L929 by patch clamp method | 18289849 |
| Potassium voltage-gated channel subfamily A member 3 | Kd | = | 400.0 | nM | 6.4 | Dissociation constant for the blockage of voltage-gated potassium channel subuni... | 15084131 |
| Homo sapiens | EC50 | = | 600.0 | nM | 6.22 | Inhibition of anti-CD3 dependent human T cell proliferation | 15084131 |
| Unchecked | Kd | = | 1200.0 | nM | 5.92 | Selectivity for Kv1.3 over Kv1.1 voltage-gated potassium channel subunit | 15084131 |
| Unchecked | Kd | = | 5100.0 | nM | 5.29 | Selectivity for Kv1.3 over Kv1.5 voltage-gated potassium channel subunit | 15084131 |
| Unchecked | Kd | = | 10000.0 | nM | 5.0 | Selectivity for Kv1.3 over Kv1.7 voltage-gated potassium channel subunit | 15084131 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | U2OS | 10 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 7 |
| - | 10.6019/CHEMBL5303304 | Fibroblast | 7 |
| 15084131 | 10.1021/jm030523s | Unchecked | 5 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| 15084131 | 10.1021/jm030523s | Potassium voltage-gated channel subfamily A member 3 | 1 |
| - | 10.6019/CHEMBL5665443 | G/T mismatch-specific thymine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Single-strand selective monofunctional uracil DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | N-glycosylase/DNA lyase | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease III-like protein 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| 18289849 | 10.1016/j.bmcl.2008.01.099 | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 15084131 | 10.1021/jm030523s | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine