Compound Detail
CHEMBL2207037
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CC(=O)N1CCN(C(=O)O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]6[C@H](O[C@@H]([C@H](OC(=O)N7CCC7)C(C)C)C[C@H]6C)[C@H](O)[C@@]3(C)[C@@H]5CC[C@H]4C2(C)C)CC1
Basic Information
| ChEMBL ID | CHEMBL2207037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFSRYVAFKNADIR-GOYJSGEQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
712.0
MW (Da)
6.34
ALogP
7
HBA
1
HBD
108.8
PSA (Ų)
0.36
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.72 | 6.005 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 190.0 | nM | 6.72 | Modulation of gamma secretase in CHO-2B7 cells assessed as reduction in amyloid ... | 23030762 |
| Unchecked | IC50 | = | 5100.0 | nM | 5.29 | Modulation of gamma secretase in CHO-2B7 cells assessed as reduction in amyloid ... | 23030762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23030762 | 10.1021/jm300976b | Unchecked | 2 |
| 23030762 | 10.1021/jm300976b | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine