Compound Detail
CHEMBL280274
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CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)NC(C)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL280274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSKFBIBWZDLGMN-IROOXBOJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
1.17
ALogP
6
HBA
5
HBD
133.6
PSA (Ų)
0.31
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Delta-type opioid receptor CHEMBL3222 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 100.0 | nM | 7.0 | Inhibitory potency against Opioid receptor mu 1 in longitudinal muscle preparati... | 6276540 |
| Delta-type opioid receptor | IC50 | = | 1100.0 | nM | 5.96 | 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 | 5 |
| 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