Compound Detail
CHEMBL242385
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Basic Information
| ChEMBL ID | CHEMBL242385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFYPDAKTVZXXPC-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
270.2
MW (Da)
2.58
ALogP
5
HBA
3
HBD
90.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | IC50 | 4.35 | 4.35 | 45100.0 | 1 |
| Sialidase-2 CHEMBL3200 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 45100.0 | nM | 4.35 | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in ra... | - |
| Sialidase-2 | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of human Neu2 assessed as MuNANA substrate hydrolysis in presence of ... | 20097567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17166721 | 10.1016/j.bmc.2006.11.037 | NON-PROTEIN TARGET | 3 |
| 20097567 | 10.1016/j.bmc.2009.12.062 | Unchecked | 2 |
| 17166721 | 10.1016/j.bmc.2006.11.037 | Radical scavenging activity | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
| 20097567 | 10.1016/j.bmc.2009.12.062 | Sialidase-2 | 1 |
| 32883638 | 10.1016/j.ejmech.2020.112754 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine