Compound Detail
CHEMBL3314222
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CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)NC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3314222 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZONABCAFAASFGI-JDYXPTCVSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1213.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.19
Ki 2 meas. best 9.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KiSS-1 receptor CHEMBL5413 | Ki | 9.92 | 9.92 | 0.1 | 1 |
| KiSS-1 receptor CHEMBL5413 | EC50 | 9.19 | 9.19 | 0.6 | 1 |
| KiSS-1 receptor CHEMBL1169599 | Ki | 9.08 | 9.08 | 0.8 | 1 |
| KiSS-1 receptor CHEMBL1169599 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KiSS-1 receptor | Ki | = | 0.12 | nM | 9.92 | Displacement of radioligand from human KISS1R transfected in CHO cells | 24918545 |
| KiSS-1 receptor | EC50 | = | 0.64 | nM | 9.19 | Agonist activity at human KISS1R transfected in CHO cells assessed as intracellu... | 24918545 |
| KiSS-1 receptor | Ki | = | 0.83 | nM | 9.08 | Displacement of radioligand from rat KISS1R transfected in CHO cells | 24918545 |
| KiSS-1 receptor | EC50 | = | 2.8 | nM | 8.55 | Agonist activity at rat KISS1R transfected in CHO cells assessed as intracellula... | 24918545 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24918545 | 10.1021/jm5005489 | KiSS-1 receptor | 4 |
| 24918545 | 10.1021/jm5005489 | Rattus norvegicus | 4 |
Data from ChEMBL 36 via Core Engine