Compound Detail
CHEMBL370392
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NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2cc(O)ccc2CN1
Basic Information
| ChEMBL ID | CHEMBL370392 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | ITXMKOBIOVCDHX-DZUOILHNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
583.7
MW (Da)
1.34
ALogP
6
HBA
5
HBD
153.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 216.0 | nM | 6.67 | Inhibition of [3H]naloxone binding to rat brain homogenate Opioid receptor mu | 15863298 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863298 | 10.1016/j.bmcl.2005.03.075 | Mu-type opioid receptor | 1 |
| 15863298 | 10.1016/j.bmcl.2005.03.075 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine