Compound Detail
CHEMBL1084363
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
Basic Information
| ChEMBL ID | CHEMBL1084363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMXFWZCBTFHARB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
4.14
ALogP
3
HBA
2
HBD
57.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL2492 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Neuronal acetylcholine receptor subunit alpha-7 CHEMBL4980 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at rat alpha7 nAChR expressed in rat GH4C1 cells assessed as ca... | 20465311 |
| Neuronal acetylcholine receptor subunit alpha-7 | EC50 | = | 130.0 | nM | 6.89 | Agonist activity at alpha7 nAChR | 21919481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20465311 | 10.1021/jm901692q | Unchecked | 2 |
| 20465311 | 10.1021/jm901692q | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 20465311 | 10.1021/jm901692q | 5-hydroxytryptamine receptor 3A | 1 |
| 20465311 | 10.1021/jm901692q | No relevant target | 1 |
| 20465311 | 10.1021/jm901692q | ADMET | 1 |
| 20465311 | 10.1021/jm901692q | Cytochrome P450 2D6 | 1 |
| 20465311 | 10.1021/jm901692q | Cytochrome P450 3A4 | 1 |
| 20465311 | 10.1021/jm901692q | Cytochrome P450 2C9 | 1 |
| 21919481 | 10.1021/jm2007672 | Neuronal acetylcholine receptor subunit alpha-7 | 1 |
| 21919481 | 10.1021/jm2007672 | Cytochrome P450 2D6 | 1 |
| 21919481 | 10.1021/jm2007672 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine