Compound Detail
CHEMBL325230
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NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL325230 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | KKLJGAZXRLWHMB-UFYCRDLUSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
0.47
ALogP
5
HBA
4
HBD
138.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.33 | 7.33 | 46.3 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.85 | 6.85 | 140.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 46.3 | nM | 7.33 | Binding affinity against rat brain Opioid receptor mu 1 using [3H]DAMGO radiolig... | 15214786 |
| Unchecked | Ki | = | 140.0 | nM | 6.85 | Mean value of binding constant for Opioid receptors assayed with [3H]DAMGO | 15780619 |
| Delta-type opioid receptor | Ki | = | 15900.0 | nM | 4.8 | Binding affinity against rat brain opioid receptor delta 1 using [3H]DPDPE radio... | 15214786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15780619 | 10.1016/j.bmcl.2005.02.021 | Unchecked | 3 |
| 15214786 | 10.1021/jm030649p | Mu-type opioid receptor | 1 |
| 15214786 | 10.1021/jm030649p | Delta-type opioid receptor | 1 |
| 15214786 | 10.1021/jm030649p | Opioid receptors; mu & delta | 1 |
| 15780619 | 10.1016/j.bmcl.2005.02.021 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine