Compound Detail
CHEMBL4299612
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CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL4299612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTZSQMFKINJFMG-VDMXHDAPSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1610.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.24
IC50 2 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 8.24 | 8.24 | 5.7 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 7.28 | 7.28 | 52.4 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 7.13 | 7.13 | 74.1 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 6.97 | 6.97 | 107.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | IC50 | 6.08 | 6.08 | 841.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 5.7 | nM | 8.24 | Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumu... | 26959173 |
| Melanocortin receptor 5 | EC50 | = | 52.4 | nM | 7.28 | Agonist activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumu... | 26959173 |
| Melanocortin receptor 4 | EC50 | = | 74.1 | nM | 7.13 | Agonist activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumu... | 26959173 |
| Melanocortin receptor 3 | EC50 | = | 107.0 | nM | 6.97 | Agonist activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumu... | 26959173 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 225.0 | nM | 6.65 | Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated... | 26959173 |
| Melanocortin receptor 4 | IC50 | = | 841.0 | nM | 6.08 | Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated... | 26959173 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocyte-stimulating hormone receptor | 4 |
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocortin receptor 3 | 4 |
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocortin receptor 4 | 4 |
| 26959173 | 10.1021/acs.jmedchem.5b01894 | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine