Compound Detail
CHEMBL2372399
ZYKLOPHIN Enter ChEMBL ID:
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CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccc(O)cc2)NCc2ccccc2)CC(=O)NC[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCN)C(N)=O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2372399 |
| Name | ZYKLOPHIN |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | UWLIKQFWZOPOAX-KLROISQLSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
1365.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 7.52 | 7.52 | 30.0 | 2 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 7.52 | 7.27 | 30.3 | 2 |
| Mu-type opioid receptor CHEMBL270 | Ki | 5.36 | 5.295 | 4380.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.23 | 5.23 | 5880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 30.3 | nM | 7.52 | Displacement of [3H]diprenorphine from rat kappa opioid receptor expressed in CH... | 19807094 |
| Kappa-type opioid receptor | Ki | = | 30.3 | nM | 7.52 | Displacement of [3H]diprenorphine from KOR (unknown origin) expressed in CHO cel... | 23360448 |
| Kappa-type opioid receptor | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]diprenorphine from kappa opioid receptor (unknown origin) ex... | 24690494 |
| Kappa-type opioid receptor | Ki | = | 95.2 | nM | 7.02 | Displacement of [3H]diprenorphine from rat kappa-opioid receptor expressed in CH... | 26491810 |
| Mu-type opioid receptor | Ki | = | 4380.0 | nM | 5.36 | Displacement of [3H]DAMGO from rat mu-opioid receptor expressed in CHO cells aft... | 26491810 |
| Mu-type opioid receptor | Ki | = | 5880.0 | nM | 5.23 | Displacement of [3H]DAMGO from rat mu opioid receptor expressed in CHO cells | 19807094 |
| Mu-type opioid receptor | Ki | = | 5880.0 | nM | 5.23 | Displacement of [3H]DAMGO from MOR (unknown origin) expressed in CHO cells | 23360448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19807094 | 10.1021/jm900715m | Kappa-type opioid receptor | 3 |
| 19807094 | 10.1021/jm900715m | Unchecked | 2 |
| 23360448 | 10.1021/jm301783x | Kappa-type opioid receptor | 2 |
| 24690494 | 10.1016/j.bmcl.2014.03.040 | Kappa-type opioid receptor | 2 |
| 24690494 | 10.1016/j.bmcl.2014.03.040 | Unchecked | 2 |
| 26491810 | 10.1021/jm501827k | Kappa-type opioid receptor | 2 |
| 19807094 | 10.1021/jm900715m | Delta-type opioid receptor | 1 |
| 19807094 | 10.1021/jm900715m | Mu-type opioid receptor | 1 |
| 23360448 | 10.1021/jm301783x | Delta-type opioid receptor | 1 |
| 23360448 | 10.1021/jm301783x | Mu-type opioid receptor | 1 |
| 26491810 | 10.1021/jm501827k | No relevant target | 1 |
| 26491810 | 10.1021/jm501827k | Mu-type opioid receptor | 1 |
| 26491810 | 10.1021/jm501827k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine