Compound Detail
CHEMBL2063842
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Basic Information
| ChEMBL ID | CHEMBL2063842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDHIAGVDKRWZNF-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
2.27
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.55
IC50 1 meas. best 7.85
Kd 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.85 | 7.85 | 14.1 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 7.55 | 7.55 | 28.2 | 1 |
| Unchecked CHEMBL612545 | Kd | 5.77 | 5.77 | 1698.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 14.13 | nM | 7.85 | Compound was tested for its antagonist activity against calcium channel | 2846838 |
| Cavia porcellus | EC50 | = | 28.18 | nM | 7.55 | Effective concentration required to produce mechanical response determined in mu... | 2846838 |
| Unchecked | Kd | = | 1698.24 | nM | 5.77 | Potentiation of forskolin-induced CFTR deltaF508 mutant expressed in FRT cells c... | 22889557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36584305 | 10.1021/acs.jmedchem.2c01818 | ADMET | 5 |
| 10377225 | 10.1021/jm981114c | Voltage-gated L-type calcium channel | 3 |
| 36584305 | 10.1021/acs.jmedchem.2c01818 | Mus musculus | 3 |
| 3746811 | 10.1021/jm00159a007 | Cytochrome P450 3A4 | 2 |
| 10377225 | 10.1021/jm981114c | ADMET | 2 |
| 2329562 | 10.1021/jm00167a021 | Oryctolagus cuniculus | 1 |
| 2329562 | 10.1021/jm00167a021 | Canis familiaris | 1 |
| 7057416 | 10.1021/jm00344a007 | Cavia porcellus | 1 |
| 7057416 | 10.1021/jm00344a007 | Voltage-gated L-type calcium channel | 1 |
| 2846838 | 10.1021/jm00119a009 | Cavia porcellus | 1 |
| 2846838 | 10.1021/jm00119a009 | Unchecked | 1 |
| 22889557 | 10.1016/j.ejmech.2012.07.017 | Unchecked | 1 |
| 22889557 | 10.1016/j.ejmech.2012.07.017 | Voltage-gated L-type calcium channel | 1 |
| - | 10.1007/s00044-012-9994-0 | HT-29 | 1 |
| - | 10.1007/s00044-012-9994-0 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine