Compound Detail
CHEMBL1784996
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Basic Information
| ChEMBL ID | CHEMBL1784996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVAGBHKVXBIHQU-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789704 |
| Active Moiety | CHEMBL1789704 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
0.08
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 32000.0 | nM | 4.5 | Displacement of [3H]epibatidine from nAChR in rat cerebral cortex | 19006672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19006672 | 10.1016/j.bmc.2008.10.045 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine