Compound Detail
CHEMBL1934195
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Basic Information
| ChEMBL ID | CHEMBL1934195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQHQALGVQDTJDN-XNTDXEJSSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
5.62
ALogP
5
HBA
0
HBD
61.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.86
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.0 | 5.0 | 9900.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | Ki | 4.86 | 4.86 | 13700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 9900.0 | nM | 5.0 | Inhibition of recombinant human BACE1 using Rh-EVNLDAEFK as substrate after 60 m... | 22222157 |
| Beta-secretase 1 | Ki | = | 13700.0 | nM | 4.86 | Inhibition of recombinant human BACE1 assessed as dissociation constant of enzym... | 22222157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 4 |
Data from ChEMBL 36 via Core Engine