Compound Detail
CHEMBL5906775
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCC1=N[C@@]2(N=C1N)c1cc(-c3cncc(Cl)c3)ccc1C[C@]21CC[C@@H](OC)CC1
Basic Information
| ChEMBL ID | CHEMBL5906775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRKMJBIQBFXXFC-CTUHWIOQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
423.0
MW (Da)
4.91
ALogP
5
HBA
1
HBD
72.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 8.8 | 8.67 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 1.6 | nM | 8.8 | sAPPbeta Release Assay: SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, ... | - |
| Amyloid-beta precursor protein | IC50 | = | 2.9 | nM | 8.54 | TR-FRET Assay: The β-secretase enzyme used in the TR-FRET is prepared as follows... | - |
Data from ChEMBL 36 via Core Engine