Compound Detail
CHEMBL3287345
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CC(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3287345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRHJGNGRKGUNEV-WXLIJKPESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
832.1
MW (Da)
4.11
ALogP
5
HBA
3
HBD
141.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 6.92 | 6.245 | 120.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 120.0 | nM | 6.92 | Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... | 24517312 |
| Melanocortin receptor 4 | EC50 | = | 2670.0 | nM | 5.57 | 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