Compound Detail
CHEMBL488228
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Basic Information
| ChEMBL ID | CHEMBL488228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAFCUKNGSQFVAC-JOYOIKCWSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
291.8
MW (Da)
2.03
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.26
IC50 1 meas. best 5.26
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 5449.0 | nM | 5.26 | Inhibition of gamma-secretase expressed in CHO cells expressing wild type human ... | 18556202 |
| Unchecked | EC50 | = | 5500.0 | nM | 5.26 | Inhibition of gamma-secretase-mediated amyloid beta 40/42 accumulation assessed ... | 19097890 |
| Unchecked | IC50 | = | 5449.0 | nM | 5.26 | Inhibition of gamma-secretase expressed in CHO cells expressing human recombinan... | 19012391 |
| Unchecked | EC50 | = | 20000.0 | nM | 4.7 | Inhibition of mouse notch expressed in CHO cells assessed as transactivation of ... | 18556202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556202 | 10.1016/j.bmcl.2008.05.064 | Unchecked | 3 |
| 19012391 | 10.1021/jm801252w | Unchecked | 2 |
| 19012391 | 10.1021/jm801252w | Mus musculus | 2 |
| 19097890 | 10.1016/j.bmcl.2008.11.116 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine