Compound Detail
CHEMBL432201
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CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL432201 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YSBBQLMGIDMSEJ-HVRNLMOBSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
734.9
MW (Da)
1.18
ALogP
6
HBA
9
HBD
255.5
PSA (Ų)
0.04
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.5 | 7.135 | 32.0 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.29 | 6.29 | 507.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.28 | 6.28 | 528.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.27 | 5.27 | 5400.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 4.99 | 4.99 | 10300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 32.0 | nM | 7.5 | Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... | 24517312 |
| Melanocortin receptor 4 | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at human melanocortin-4 receptor L106P mutant expressed in HEK2... | 24517312 |
| Melanocortin receptor 5 | EC50 | = | 507.0 | nM | 6.29 | In vitro activation of mouse recombinant Melanocortin-5 receptor. | 12061882 |
| Melanocortin receptor 4 | EC50 | = | 528.0 | nM | 6.28 | In vitro activation of mouse recombinant Melanocortin-4 receptor. | 12061882 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 5400.0 | nM | 5.27 | In vitro activation of mouse recombinant Melanocortin-1 receptor. | 12061882 |
| Melanocortin receptor 3 | EC50 | = | 10300.0 | nM | 4.99 | In vitro activation of mouse recombinant Melanocortin-3 receptor. | 12061882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24517312 | 10.1021/jm500064t | Melanocortin receptor 4 | 2 |
| 12061882 | 10.1021/jm0104872 | Melanocyte-stimulating hormone receptor | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 3 | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 4 | 1 |
| 12061882 | 10.1021/jm0104872 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine