Compound Detail
CHEMBL576553
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Basic Information
| ChEMBL ID | CHEMBL576553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVCQUFRZHIVYGM-FQEVSTJZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.0
MW (Da)
4.81
ALogP
6
HBA
2
HBD
84.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.04
IC50 1 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.04 | 6.395 | 92.0 | 2 |
| Gamma-secretase CHEMBL2094135 | IC50 | 6.81 | 6.81 | 154.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 92.0 | nM | 7.04 | Inhibition of gamma-secretase-mediated cleavage of human APP expressed in CHO ce... | 19443228 |
| Gamma-secretase | IC50 | = | 154.0 | nM | 6.81 | Displacement of [3H](S)-5-chloro-N-(3-ethyl-1-hydroxypentan-2-yl)thiophene-2-sul... | 19443228 |
| Unchecked | EC50 | = | 1800.0 | nM | 5.75 | Inhibition of gamma-secretase-mediated mouse notch cleavage expressed in CHOK1 c... | 19443228 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19443228 | 10.1016/j.bmc.2009.04.052 | Unchecked | 6 |
| 19443228 | 10.1016/j.bmc.2009.04.052 | Gamma-secretase | 1 |
Data from ChEMBL 36 via Core Engine