Compound Detail
CHEMBL2323796
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C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2C[C@H](CCCNC(=N)N)NC(=O)[C@@H](CSCC2=O)NC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL2323796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JNZZLOWHYPHQNM-SDPBZCNWSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1712.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.96
Kd 1 meas. best 9.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 3 CHEMBL4774 | Kd | 9.9 | 9.9 | 0.1 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 7.06 | 7.06 | 87.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 3 | Kd | = | 0.1259 | nM | 9.9 | Antagonist activity at mouse MC3 receptor expressed in HEK293 cells after 6 hrs ... | 23432160 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at mouse MC1 receptor expressed in HEK293 cells after 6 hrs by ... | 23432160 |
| Melanocortin receptor 5 | EC50 | = | 87.0 | nM | 7.06 | Agonist activity at mouse MC5 receptor expressed in HEK293 cells after 6 hrs by ... | 23432160 |
| Melanocortin receptor 4 | EC50 | = | 760.0 | nM | 6.12 | Agonist activity at mouse MC4 receptor expressed in HEK293 cells after 6 hrs by ... | 23432160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23432160 | 10.1021/jm301253y | Melanocortin receptor 3 | 2 |
| 23432160 | 10.1021/jm301253y | Unchecked | 1 |
| 23432160 | 10.1021/jm301253y | Melanocortin receptor 5 | 1 |
| 23432160 | 10.1021/jm301253y | Melanocortin receptor 4 | 1 |
| 23432160 | 10.1021/jm301253y | Melanocyte-stimulating hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine