Compound Detail
CHEMBL439677
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Basic Information
| ChEMBL ID | CHEMBL439677 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSHASQSQASBNKK-AATRIKPKSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
178.2
MW (Da)
1.70
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Islet amyloid polypeptide CHEMBL1914266 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.71 | 5.71 | 1958.8 | 1 |
| Brain CHEMBL613617 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Islet amyloid polypeptide | IC50 | = | 800.0 | nM | 6.1 | Inhibition of islet amyloid polypeptide (unknown origin) aggregation after 24 hr... | 33600175 |
| Oryctolagus cuniculus | IC50 | = | 1958.84 | nM | 5.71 | Inhibitory concentration against peroxidation of rabbits red blood cell (RBC) me... | 15911266 |
| Brain | IC50 | = | 6300.0 | nM | 5.2 | Antioxidant activity in Wistar rat brain homogenate assessed as inhibition of Fe... | 26796952 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911266 | 10.1016/j.bmcl.2005.03.087 | Oryctolagus cuniculus | 2 |
| 26796952 | 10.1016/j.bmc.2015.12.049 | Brain | 1 |
| 26796952 | 10.1016/j.bmc.2015.12.049 | No relevant target | 1 |
| 26796952 | 10.1016/j.bmc.2015.12.049 | Unchecked | 1 |
| 33600175 | 10.1021/acs.jnatprod.0c01162 | Islet amyloid polypeptide | 1 |
| 33600175 | 10.1021/acs.jnatprod.0c01162 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine