Compound Detail
CHEMBL283440
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CSCC[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CC(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL283440 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GHNGZERZTVUFEB-YGWPLHOASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
553.7
MW (Da)
-0.26
ALogP
8
HBA
7
HBD
199.9
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptors; mu/kappa/delta | IC50 | = | 21.0 | nM | 7.68 | Evaluated the ability to protect against the irreversible antagonism of morphine... | 6312042 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6312042 | 10.1021/jm00364a001 | Unchecked | 1 |
| 6312042 | 10.1021/jm00364a001 | Opioid receptors; mu/kappa/delta | 1 |
Data from ChEMBL 36 via Core Engine