Compound Detail
CHEMBL4475999
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Basic Information
| ChEMBL ID | CHEMBL4475999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARIVZVAHCXZRND-TUACAJSNSA-N |
5
Targets
6
Activities
1
Assay Types
2
PK Parameters
13
Publications
0
Known Names
Molecular Properties
414.6
MW (Da)
3.45
ALogP
6
HBA
2
HBD
72.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 7.22 | 6.495 | 60.0 | 2 |
| G protein-activated inward rectifier potassium channel 1 CHEMBL1914277 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| G protein-activated inward rectifier potassium channel 4 CHEMBL1914278 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| A-type voltage-gated potassium channel KCND3 CHEMBL1964 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Sodium channel protein type 5 subunit alpha CHEMBL1980 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.1 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 0.19 | mL.min-1.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Kv1.5 in human atrial myocytes assessed as blockade of Ikur curren... | 30879840 |
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of recombinant human Kv1.5 expressed in CHO cells by IonWork high-thr... | 30879840 |
| G protein-activated inward rectifier potassium channel 1 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of Kir3.1 (unknown origin) | 30879840 |
| G protein-activated inward rectifier potassium channel 4 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of Kir3.4 (unknown origin) | 30879840 |
| A-type voltage-gated potassium channel KCND3 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Kv4.3 (unknown origin) | 30879840 |
| Sodium channel protein type 5 subunit alpha | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of Nav1.5 (unknown origin) | 30879840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30879840 | 10.1016/j.bmcl.2019.03.006 | ADMET | 5 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Potassium voltage-gated channel subfamily A member 5 | 2 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Glutamate [NMDA] receptor | 2 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Potassium voltage-gated channel subfamily E member 1 | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Oryctolagus cuniculus | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Canis familiaris | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | G protein-activated inward rectifier potassium channel 1 | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | G protein-activated inward rectifier potassium channel 4 | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | A-type voltage-gated potassium channel KCND3 | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Sodium channel protein type 5 subunit alpha | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 30879840 | 10.1016/j.bmcl.2019.03.006 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine