Compound Detail
CHEMBL1190199
ASIMADOLINE 🧪 Phase III
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🧪 Phase III
Basic Information
| ChEMBL ID | CHEMBL1190199 |
| Name | ASIMADOLINE |
| Phase | Phase III |
| Structure Type | MOL |
| InChI Key | JHLHNYVMZCADTC-LOSJGSFVSA-N |
3
Targets
4
Activities
2
Assay Types
3
PK Parameters
9
Publications
3
Known Names
2
Indications
1
Mechanisms
Molecular Properties
414.6
MW (Da)
4.08
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Kappa opioid receptor agonist | AGONIST | Kappa-type opioid receptor | ✓ | ✓ |
Indications
Irritable Bowel Syndrome Ileus
Activity Summary
EC50 3 meas. best 9.3
Ki 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 4.22 | 4.22 | 60000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 493.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 1223.01 | nM | Mus musculus |
| T1/2 | 0.5 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 0.5 | nM | 9.3 | Agonist activity at human kappa opioid receptor expressed in COS7 cells after 60... | 25599839 |
| Kappa-type opioid receptor | Ki | = | 5.6 | nM | 8.25 | Binding affinity to human recombinant KOR assessed as inhibition constant | 36179400 |
| Delta-type opioid receptor | EC50 | = | 8000.0 | nM | 5.1 | Agonist activity at human delta opioid receptor expressed in COS7 cells after 60... | 25599839 |
| Mu-type opioid receptor | EC50 | = | 60000.0 | nM | 4.22 | Agonist activity at human mu opioid receptor expressed in COS7 cells after 60 mi... | 25599839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25599839 | 10.1016/j.bmcl.2014.12.064 | Mus musculus | 3 |
| 10369454 | 10.1038/sj.bjp.0702497 | ATP-dependent translocase ABCB1 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| 10369454 | 10.1038/sj.bjp.0702497 | P-glycoprotein 1 and 3 (MDR1a/MDR1b) | 1 |
| 25599839 | 10.1016/j.bmcl.2014.12.064 | Delta-type opioid receptor | 1 |
| 25599839 | 10.1016/j.bmcl.2014.12.064 | Kappa-type opioid receptor | 1 |
| 25599839 | 10.1016/j.bmcl.2014.12.064 | Mu-type opioid receptor | 1 |
| 36179400 | 10.1016/j.ejmech.2022.114785 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine