Compound Detail
CHEMBL362103
ALMOKALANT 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL362103 |
| Name | ALMOKALANT |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZMHOBBKJBYLXFR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
1
Known Names
Molecular Properties
352.5
MW (Da)
2.17
ALogP
5
HBA
1
HBD
79.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 8.3 | 7.45 | 5.0 | 2 |
| Bile salt export pump CHEMBL6020 | IC50 | 4.25 | 4.25 | 55750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5.0 | nM | 8.3 | Inhibition of human ERG potassium channel | 18243713 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 250.0 | nM | 6.6 | Inhibitory concentration against IKr potassium channel | 15324906 |
| Bile salt export pump | IC50 | = | 55750.0 | nM | 4.25 | Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21... | 22961681 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15781124 | 10.1016/j.pharmthera.2004.10.013 | UDP-glucuronosyltransferase 1A9 | 2 |
| 15781124 | 10.1016/j.pharmthera.2004.10.013 | UDP-glucuronosyltransferase 2B7 | 2 |
| 15324906 | 10.1016/j.bmcl.2004.06.070 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18243713 | 10.1016/j.bmc.2008.01.017 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 18396854 | 10.1021/jm701587d | No relevant target | 1 |
| 22961681 | 10.1124/dmd.112.047068 | Bile salt export pump | 1 |
Data from ChEMBL 36 via Core Engine