Compound Detail
CHEMBL3799955
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
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)NCCCOCCOCCOCCCNC(=O)COCC(=O)NCCCOCCOCCOCCCNC(=O)COCC(=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(N)=O
Basic Information
| ChEMBL ID | CHEMBL3799955 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJUUQMJYKGOSKZ-VAMAGGONSA-N |
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1949.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 8.92
IC50 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.92 | 7.735 | 1.2 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 8.14 | 8.14 | 7.3 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 7.9 | 7.9 | 12.6 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 7.64 | 7.64 | 22.7 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
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 |
| 29669202 | 10.1021/acs.jmedchem.8b00238 | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine