Compound Detail
CHEMBL3976595
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
COc1cc(C(F)(F)F)ccc1[C@H]1CC[C@@H]([C@H](C)N2CCn3c(ccc(-n4cnc(C)c4)c3=O)C2=O)O1
Basic Information
| ChEMBL ID | CHEMBL3976595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URNQTSVGYDZAAP-WQTXXOFMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
4.13
ALogP
7
HBA
0
HBD
78.6
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Presenilin-1 CHEMBL2473 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Presenilin-1 | IC50 | = | 15.0 | nM | 7.82 | Cell-Based Assay: The ability of compounds to modulate production of amyloid bet... | - |
Data from ChEMBL 36 via Core Engine