Compound Detail
CHEMBL2151146
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Basic Information
| ChEMBL ID | CHEMBL2151146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUFFIOALCYNCEY-OAHLLOKOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
4.15
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.27 | 7.335 | 5.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.4 | nM | 8.27 | Antagonist activity at depolarized T-type calcium channel by FLIPR assay | 24900239 |
| Unchecked | IC50 | = | 397.0 | nM | 6.4 | Antagonist activity at hyperpolarized T-type calcium channel by FLIPR assay | 24900239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900239 | 10.1021/ml100170e | Unchecked | 5 |
| 24900239 | 10.1021/ml100170e | LLC-PK1 | 2 |
| 24900239 | 10.1021/ml100170e | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 24900239 | 10.1021/ml100170e | Rattus norvegicus | 1 |
| 24900239 | 10.1021/ml100170e | Nuclear receptor subfamily 1 group I member 2 | 1 |
| 24900239 | 10.1021/ml100170e | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine