Compound Detail
CHEMBL5406732
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CN1C(=O)CNC(=O)[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)O)CCCC/C=C/CC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)NC(=O)[C@@H]1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5406732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACSHUAQTLUTMDJ-BFJBMLSWSA-N |
4
Targets
5
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1150.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 8.22 | 8.045 | 6.0 | 2 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 6.88 | 6.88 | 131.5 | 1 |
| Neuropeptide FF receptor 2 CHEMBL5952 | EC50 | 5.01 | 5.01 | 9766.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.007 | hr | Mus musculus |
| T1/2 | 2.263 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 1.2 | nM | 8.92 | Agonist activity at MOR (unknown origin) transfected in CHO cells co-expressing ... | 38095323 |
| Delta-type opioid receptor | EC50 | = | 6.0 | nM | 8.22 | Agonist activity at NPFF1R (unknown origin) transfected in CHO cells co-expressi... | 38095323 |
| Delta-type opioid receptor | EC50 | = | 13.4 | nM | 7.87 | Agonist activity at DOR (unknown origin) transfected in CHO cells co-expressing ... | 38095323 |
| Kappa-type opioid receptor | EC50 | = | 131.5 | nM | 6.88 | Agonist activity at KOR (unknown origin) transfected in CHO cells co-expressing ... | 38095323 |
| Neuropeptide FF receptor 2 | EC50 | = | 9766.0 | nM | 5.01 | Agonist activity at NPFF2R (unknown origin) transfected in HEK293 cells co-expre... | 38095323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38095323 | 10.1021/acs.jmedchem.3c02093 | Mus musculus | 7 |
| 38095323 | 10.1021/acs.jmedchem.3c02093 | Delta-type opioid receptor | 4 |
| 38095323 | 10.1021/acs.jmedchem.3c02093 | Mu-type opioid receptor | 2 |
| 38095323 | 10.1021/acs.jmedchem.3c02093 | Kappa-type opioid receptor | 2 |
| 38095323 | 10.1021/acs.jmedchem.3c02093 | Neuropeptide FF receptor 2 | 2 |
| 38095323 | 10.1021/acs.jmedchem.3c02093 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine