Compound Detail
CHEMBL3672699
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
CC1=N[C@@]2(N=C1N)c1cc(-c3cc(Cl)cc(C#N)c3)ccc1C[C@]21CC[C@@H](O)CC1
Basic Information
| ChEMBL ID | CHEMBL3672699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJQOUOQLEXOUFE-AGILITTLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.9
MW (Da)
4.34
ALogP
5
HBA
2
HBD
94.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 6.67 | 6.67 | 216.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 6.11 | 6.11 | 780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amyloid-beta precursor protein | IC50 | = | 216.0 | nM | 6.67 | Release Assay: SH-SY5Y cells were cultured in DMEM/F-12 with Glutamax, 10% FCS a... | - |
| Beta-secretase 1 | IC50 | = | 780.0 | nM | 6.11 | TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as fol... | - |
Data from ChEMBL 36 via Core Engine