Compound Detail
CHEMBL238465
SOFINICLINE 🧪 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
Basic Information
| ChEMBL ID | CHEMBL238465 |
| Name | SOFINICLINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | MBQYQLWSBRANKQ-IMTBSYHQSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
4
Known Names
4
Indications
1
Mechanisms
Molecular Properties
244.1
MW (Da)
1.80
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Neuronal acetylcholine receptor; alpha4/beta2 agonist | AGONIST | Neuronal acetylcholine receptor; alpha4/beta2 | ✓ | ✓ |
Indications
Attention Deficit Disorder with Hyperactivity Diabetic Nephropathies Diabetic Neuropathies Neuralgia
Activity Summary
EC50 4 meas. best 6.4
Ki 2 meas. best 9.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.53 | 9.525 | 0.3 | 2 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 6.4 | 6.375 | 400.0 | 2 |
| Neuronal acetylcholine receptor; alpha3/beta4 CHEMBL1907594 | EC50 | 5.84 | 5.83 | 1445.4 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.2951 | nM | 9.53 | Displacement of [3H]cytisine from neuronal nicotinic acetylcholine receptor in r... | 17929796 |
| Unchecked | Ki | = | 0.3 | nM | 9.52 | Displacement of [3H]cytisine from neuronal nicotinic acetylcholine receptor in r... | 17929796 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 400.0 | nM | 6.4 | Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 c... | 17929796 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 446.68 | nM | 6.35 | Agonist activity at recombinant human alpha-4-beta-2 nAChR expressed in HEK293 c... | 17929796 |
| Neuronal acetylcholine receptor; alpha3/beta4 | EC50 | = | 1445.44 | nM | 5.84 | Agonist activity at recombinant human alpha-3-beta-4 nAChR expressed in HEK293 c... | 17929796 |
| Neuronal acetylcholine receptor; alpha3/beta4 | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at recombinant human alpha-3-beta-4 nAChR expressed in HEK293 c... | 17929796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17929796 | 10.1021/jm070755h | Neuronal acetylcholine receptor; alpha4/beta2 | 3 |
| 17929796 | 10.1021/jm070755h | Neuronal acetylcholine receptor; alpha3/beta4 | 3 |
| 17929796 | 10.1021/jm070755h | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine