Compound Detail
CHEMBL272810
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Basic Information
| ChEMBL ID | CHEMBL272810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAUDUPYNNKYCBB-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
3.30
ALogP
8
HBA
1
HBD
81.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Kd 1 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Unchecked CHEMBL612545 | Kd | 4.92 | 4.92 | 12000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 31.0 | nM | 7.51 | Bronchodilatory activity in guinea pig trachea assessed as inhibition of carbach... | 21568323 |
| Unchecked | IC50 | = | 95.0 | nM | 7.02 | Negative ionotropic activity in potassium depolarized guinea pig longitudinal sm... | 21568323 |
| Unchecked | Kd | = | 12000.0 | nM | 4.92 | Binding affinity to CFTR F508 deletion mutant expressed in forskolin-stimulated ... | 21568323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30861492 | 10.1016/j.ejmech.2019.02.075 | Voltage-gated L-type calcium channel | 6 |
| 18303827 | 10.1021/jm070681+ | Unchecked | 3 |
| 21568323 | 10.1021/jm200199r | Unchecked | 3 |
| 21568323 | 10.1021/jm200199r | Cystic fibrosis transmembrane conductance regulator | 2 |
| 21568323 | 10.1021/jm200199r | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine