Compound Detail
CHEMBL380697
APLYSAMINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL380697 |
| Name | APLYSAMINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LWENJEAGCYZOBC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
408.2
MW (Da)
3.65
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.52
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H3 receptor CHEMBL264 | Ki | 7.52 | 7.52 | 30.0 | 3 |
| Histamine H3 receptor CHEMBL4124 | Ki | 6.6 | 6.6 | 249.0 | 1 |
| Histamine H3 receptor CHEMBL5076 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H3 receptor | Ki | = | 30.0 | nM | 7.52 | Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed... | 16300945 |
| Histamine H3 receptor | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor exp... | 19577344 |
| Histamine H3 receptor | Ki | = | 30.0 | nM | 7.52 | Inhibition of histamine H3 receptor (unknown origin) | 31176569 |
| Histamine H3 receptor | Ki | = | 249.0 | nM | 6.6 | Displacement of N-[3H]methylhistamine from rat histamine H3 receptor in rat cort... | 16300945 |
| Histamine H3 receptor | IC50 | = | 500.0 | nM | 6.3 | Antagonist activity at histamine H3 receptor in guinea pig ileum assessed as inh... | 18683917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16300945 | 10.1016/j.bmcl.2005.11.003 | Histamine H3 receptor | 2 |
| 19577344 | 10.1016/j.ejmech.2009.06.007 | Histamine H3 receptor | 2 |
| 18683917 | 10.1021/jm8003625 | Histamine H3 receptor | 1 |
| 22515429 | 10.1021/np300147d | Pseudomonas aeruginosa | 1 |
| 22515429 | 10.1021/np300147d | Staphylococcus aureus | 1 |
| 24758268 | 10.1021/np500119e | CCF-STTG1 | 1 |
| 31176569 | 10.1016/j.bmc.2019.05.042 | Histamine H3 receptor | 1 |
Data from ChEMBL 36 via Core Engine