Compound Detail
CHEMBL147044
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Basic Information
| ChEMBL ID | CHEMBL147044 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFIQEYNYBQJLCL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
2.98
ALogP
3
HBA
3
HBD
85.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.98 | 8.98 | 1.0 | 1 |
| Monoamine oxidase CHEMBL2095205 | Ki | 6.39 | 6.39 | 409.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.04 | nM | 8.98 | Displacement of [3H]DAMGO (2 nM ) from opioid receptor mu 1 in human brain | 14698188 |
| Monoamine oxidase | Ki | = | 409.0 | nM | 6.39 | Displacement of [3H]2-BFI (1 nM) from imidazoline receptor I-2 in human brain | 14698188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698188 | 10.1016/j.bmcl.2003.10.048 | Monoamine oxidase | 1 |
| 14698188 | 10.1016/j.bmcl.2003.10.048 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine