Compound Detail
CHEMBL4577301
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C=C(C(N)=O)C(NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccco1
Basic Information
| ChEMBL ID | CHEMBL4577301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGQDZGVKQZOSOP-DMLANQKZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
600.7
MW (Da)
1.81
ALogP
7
HBA
6
HBD
196.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.84 | 8.84 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 1.45 | nM | 8.84 | Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in ... | 31550662 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31550662 | 10.1016/j.ejmech.2019.111701 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine