Compound Detail
CHEMBL269274
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CC(=O)NN[C@H]1CSSSSC[C@@H]2NC(=O)[C@@H]3CSSSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)C(N)=O)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@@H]4CSSSSC[C@H](NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CSSSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc5c[nH]cn5)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C(C)C)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC2=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN(Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N4
Basic Information
| ChEMBL ID | CHEMBL269274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXPXNPZGHGRGER-GVUQCVNKSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
4418.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 9.8
IC50 2 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 9.25 | 9.25 | 0.6 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 8.85 | 8.85 | 1.4 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | IC50 | 8.84 | 8.595 | 1.5 | 2 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 7.53 | 7.53 | 29.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 0.16 | nM | 9.8 | Effective concentration against mouse Melanocortin 1 receptor | 15084118 |
| Melanocortin receptor 5 | EC50 | = | 0.56 | nM | 9.25 | Effective concentration against mouse Melanocortin 5 receptor | 15084118 |
| Melanocortin receptor 4 | EC50 | = | 1.4 | nM | 8.85 | Effective concentration against mouse melanocortin MC4 receptor | 15084118 |
| Melanocortin receptor 4 | IC50 | = | 1.46 | nM | 8.84 | Inhibitory concentration towards melanocortin MC4 receptor by displacing radioli... | 15084118 |
| Melanocortin receptor 4 | IC50 | = | 4.45 | nM | 8.35 | Inhibitory concentration towards melanocortin MC4 receptor by displacing radioli... | 15084118 |
| Melanocortin receptor 3 | EC50 | = | 29.8 | nM | 7.53 | Effective concentration against mouse Melanocortin 3 receptor | 15084118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 4 | 3 |
| 15084118 | 10.1021/jm0303608 | Melanocyte-stimulating hormone receptor | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 3 | 1 |
| 15084118 | 10.1021/jm0303608 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine