Compound Detail
CHEMBL127508
AZACYCLONOL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL127508 |
| Name | AZACYCLONOL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | ZMISODWVFHHWNR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
11
Publications
7
Known Names
Molecular Properties
267.4
MW (Da)
2.92
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 4.85
Ki 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histamine H1 receptor CHEMBL231 | Ki | 6.18 | 6.18 | 659.0 | 1 |
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histamine H1 receptor | Ki | = | 659.0 | nM | 6.18 | Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expr... | 19660947 |
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... | 2579237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 3 |
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Cavia porcellus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19660947 | 10.1016/j.bmcl.2009.07.047 | Histamine H1 receptor | 1 |
| - | 10.1101/2020.04.03.023846 | SARS-CoV-2 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine