Compound Detail
CHEMBL9653
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Basic Information
| ChEMBL ID | CHEMBL9653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRTXEGOLODUQIE-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
6.15
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4633 | IC50 | 6.7 | 6.7 | 200.0 | 2 |
| Potassium voltage-gated channel subfamily A member 3 CHEMBL4818 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| T-cell line CHEMBL614685 | IC50 | 6.4 | 6.4 | 400.0 | 2 |
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 | = | 200.0 | nM | 6.7 | In vitro inhibition of human T-cells voltage-gated potassium channel subunit Kv1... | - |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step p... | 23084278 |
| Potassium voltage-gated channel subfamily A member 3 | IC50 | = | 280.0 | nM | 6.55 | Blockade of peak steady-state K+ currents of voltage-gated potassium channel sub... | 11312924 |
| T-cell line | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibitory potency against human T-cells Rb efflux | - |
| T-cell line | IC50 | = | 400.0 | nM | 6.4 | In vitro inhibitory potency against human T-cells Rb efflux | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00163-7 | T-cell line | 2 |
| - | 10.1016/S0960-894X(97)00163-7 | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 11312924 | 10.1021/jm001007u | Potassium voltage-gated channel subfamily A member 3 | 1 |
| 23084278 | 10.1016/j.bmcl.2012.09.080 | Potassium voltage-gated channel subfamily A member 3 | 1 |
Data from ChEMBL 36 via Core Engine