Compound Detail
CHEMBL2370611
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CSCCSC(C)(C)[C@@H](C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2370611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJOUPUVSUGSQGN-QDJFIVDUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1380.7
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Mu-type opioid receptor CHEMBL4354 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.5 | 6.5 | 319.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 1.0 | nM | 9.0 | Binding affinity at kappa opioid receptor in guinea pig brain by [3H]U-69593 dis... | 7966152 |
| Mu-type opioid receptor | IC50 | = | 17.0 | nM | 7.77 | Binding affinity at mu opioid receptor in guinea pig brain by [3H]DAMGO displace... | 7966152 |
| Delta-type opioid receptor | IC50 | = | 319.0 | nM | 6.5 | Binding affinity at delta opioid receptor in guinea pig brain by [3H]c[D-Pen2, p... | 7966152 |
| Cavia porcellus | IC50 | = | 1660.0 | nM | 5.78 | Inhibition of electrically induced smooth muscle contraction in guinea pig ileum... | 7966152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7966152 | 10.1021/jm00049a010 | Kappa-type opioid receptor | 1 |
| 7966152 | 10.1021/jm00049a010 | Mu-type opioid receptor | 1 |
| 7966152 | 10.1021/jm00049a010 | Delta-type opioid receptor | 1 |
| 7966152 | 10.1021/jm00049a010 | Cavia porcellus | 1 |
| 7966152 | 10.1021/jm00049a010 | Opioid receptors; mu & kappa | 1 |
| 7966152 | 10.1021/jm00049a010 | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine