Compound Detail
CHEMBL167970
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Basic Information
| ChEMBL ID | CHEMBL167970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNJNCKMZXXZIBE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
437.0
MW (Da)
5.53
ALogP
5
HBA
2
HBD
51.6
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 5.29 | 5.12 | 5100.0 | 2 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.29 | 5.12 | 5100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 5100.0 | nM | 5.29 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
| Beta-secretase 1 | IC50 | = | 5100.0 | nM | 5.29 | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed a... | 30268822 |
| Amyloid-beta precursor protein | IC50 | = | 11200.0 | nM | 4.95 | Modulation of human wild-type APP695 expressed in SH-SY5Y cells assessed as inhi... | 29559198 |
| Beta-secretase 1 | IC50 | = | 11200.0 | nM | 4.95 | Inhibition of BACE1 in human SH-SY5Y cells harboring wild type APP695 assessed a... | 30268822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29559198 | 10.1016/j.bmc.2018.03.016 | Amyloid-beta precursor protein | 4 |
| 30268822 | 10.1016/j.ejmech.2018.08.092 | Beta-secretase 1 | 4 |
| 6854583 | 10.1021/jm00360a005 | Canis familiaris | 1 |
| 6854583 | 10.1021/jm00360a005 | Muscarinic acetylcholine receptor | 1 |
| 29559198 | 10.1016/j.bmc.2018.03.016 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine