Compound Detail
CHEMBL127300
HEXOBENDINE 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
COc1cc(C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL127300 |
| Name | HEXOBENDINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | KRQAMFQCSAJCRH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
2
Known Names
1
Indications
Molecular Properties
592.7
MW (Da)
3.40
ALogP
12
HBA
0
HBD
114.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Cardiovascular Diseases
ATC Classification
C01DX06
hexobendine
Level 1: CARDIOVASCULAR SYSTEM
Level 2: CARDIAC THERAPY
Activity Summary
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... | 2579237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
Data from ChEMBL 36 via Core Engine