Compound Detail
CHEMBL2068862
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Basic Information
| ChEMBL ID | CHEMBL2068862 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWPSVHYBUBUUFS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
4.61
ALogP
5
HBA
1
HBD
38.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | - | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.7 | nM | 8.24 | Displacement of [3]10-methoxy-N-(pyridin-3-yl-7-thia-2,5-diazatricyclo(6.4.0.0 2... | 34351166 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34351166 | 10.1021/acs.jmedchem.1c00667 | Unchecked | 1 |
| 34351166 | 10.1021/acs.jmedchem.1c00667 | ADMET | 1 |
| 34351166 | 10.1021/acs.jmedchem.1c00667 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine