Compound Detail
CHEMBL188462
ISPRONICLINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL188462 |
| Name | ISPRONICLINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | RPCVIAXDAUMJJP-PZBABLGHSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
6
Known Names
4
Indications
1
Mechanisms
Molecular Properties
234.3
MW (Da)
2.88
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
6
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 partial agonist | PARTIAL AGONIST | Neuronal acetylcholine receptor; alpha4/beta2 | ✓ | ✓ |
Indications
Alzheimer Disease Attention Deficit Disorder with Hyperactivity Memory Disorders Schizophrenia
Activity Summary
EC50 3 meas. best 6.97
Ki 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.96 | 7.96 | 11.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907589 | EC50 | 6.97 | 6.97 | 106.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.97 | 6.97 | 106.0 | 1 |
| Neuronal acetylcholine receptor; alpha4/beta2 CHEMBL1907596 | EC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 11.0 | nM | 7.96 | Binding affinity to alpha4beta2* nAChR (unknown origin) | 24901260 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 106.0 | nM | 6.97 | Agonist activity at human alpha4beta2 nAChR expressed in HEK293 cells incubated ... | 23121096 |
| NON-PROTEIN TARGET | EC50 | = | 106.0 | nM | 6.97 | Induction of dopamine release in rat striatal synaptosomes | 24901260 |
| Neuronal acetylcholine receptor; alpha4/beta2 | EC50 | = | 220.0 | nM | 6.66 | Agonist activity at alpha4beta2 nAChR in rat thalamic synaptosomes by [86]Rb+ ef... | 24901260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 9 |
| - | 10.6019/CHEMBL5303304 | HEK-293T | 7 |
| - | 10.6019/CHEMBL5303304 | U2OS | 6 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor subunit alpha-7 | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta4 | 2 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha4/beta4 | 2 |
| 24901260 | 10.1021/jm401937a | Unchecked | 2 |
| 24901260 | 10.1021/jm401937a | Neuronal acetylcholine receptor; alpha4/beta2 | 2 |
| 24901260 | 10.1021/jm401937a | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL5665443 | Uracil-DNA glycosylase | 1 |
| 16033252 | 10.1021/jm040219e | Neuronal acetylcholine receptor; alpha3/beta2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 2 | 1 |
| - | 10.6019/CHEMBL5665443 | Endonuclease 8-like 1 | 1 |
| - | 10.6019/CHEMBL5665443 | Adenine DNA glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | DNA-3-methyladenine glycosylase | 1 |
| - | 10.6019/CHEMBL5665443 | Methyl-CpG-binding domain protein 4 | 1 |
| 24901260 | 10.1021/jm401937a | Mus musculus | 1 |
| 23121096 | 10.1021/jm3011433 | Neuronal acetylcholine receptor; alpha4/beta2 | 1 |
Data from ChEMBL 36 via Core Engine