Compound Detail
CHEMBL3688204
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Basic Information
| ChEMBL ID | CHEMBL3688204 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DURSUKKEHOKMQQ-OWRIGNJKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
406.9
MW (Da)
4.22
ALogP
5
HBA
2
HBD
80.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 2 CHEMBL3638357 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Beta-secretase 1 CHEMBL4593 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 2 | IC50 | = | 9.0 | nM | 8.05 | ELISA Assay: An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies,... | - |
| Beta-secretase 1 | IC50 | = | 140.0 | nM | 6.85 | ELISA Assay: An ELISA assay (using a pair of mouse anti-human-TMEM27 antibodies,... | - |
Data from ChEMBL 36 via Core Engine