Compound Detail
CHEMBL3680900
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CC#CCOc1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OC[C@]3(C)F)c2)cn1
Basic Information
| ChEMBL ID | CHEMBL3680900 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVLCYGXVHAGUKG-LEWJYISDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
2.56
ALogP
7
HBA
2
HBD
111.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | IC50 | = | 0.1 | nM | 10.0 | Inhibition Assay: The assay uses the principle of inhibition of human TMEM27 cle... | - |
Data from ChEMBL 36 via Core Engine