Compound Detail
CHEMBL2371935
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N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2371935 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | AFTOYBSNHFSKRV-YRCZKMHPSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
640.8
MW (Da)
3.48
ALogP
6
HBA
5
HBD
162.1
PSA (Ų)
0.20
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.44 | 5.44 | 3600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 0.44 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.61 | nM | 9.21 | Displacement of [3H]Ile5,6-deltorphin from delta opioid receptor in Wistar rat b... | 17228874 |
| Mu-type opioid receptor | Ki | = | 3600.0 | nM | 5.44 | Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membrane | 17228874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228874 | 10.1021/jm060721u | Delta-type opioid receptor | 2 |
| 17228874 | 10.1021/jm060721u | Mu-type opioid receptor | 1 |
| 17228874 | 10.1021/jm060721u | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine