Compound Detail
CHEMBL274204
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C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC[S+](C)[O-])C(=O)O
Basic Information
| ChEMBL ID | CHEMBL274204 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BDERJSTZOMHTMH-JVYPIJEBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
617.7
MW (Da)
-0.71
ALogP
8
HBA
6
HBD
214.2
PSA (Ų)
0.13
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 8.14 | 8.14 | 7.2 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 7.8 | 7.8 | 15.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 7.2 | nM | 8.14 | Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparati... | 6276540 |
| Delta-type opioid receptor | IC50 | = | 15.7 | nM | 7.8 | Inhibitory potency against delta Opioid receptor delta 1 in longitudinal muscle ... | 6276540 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6276540 | 10.1021/jm00142a002 | Mus musculus | 2 |
| 6276540 | 10.1021/jm00142a002 | Mu-type opioid receptor | 1 |
| 6276540 | 10.1021/jm00142a002 | Delta-type opioid receptor | 1 |
| 6276540 | 10.1021/jm00142a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine