Compound Detail
CHEMBL3287072
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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](Cc1ccc(I)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3287072 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SIBPXRLRJTXMHN-NFGXINMFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
772.6
MW (Da)
-0.25
ALogP
7
HBA
9
HBD
250.1
PSA (Ų)
0.04
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 8.28 | 7.225 | 5.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 5.3 | nM | 8.28 | Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... | 24517312 |
| Melanocortin receptor 4 | EC50 | = | 680.0 | nM | 6.17 | Agonist activity at human melanocortin-4 receptor L106P mutant expressed in HEK2... | 24517312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24517312 | 10.1021/jm500064t | Melanocortin receptor 4 | 2 |
Data from ChEMBL 36 via Core Engine