Compound Detail
CHEMBL4590532
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CC(=O)N[C@@H](CCC(N)=O)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 | CHEMBL4590532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFHUURALZPGBOL-YIPNQBBMSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
676.8
MW (Da)
-1.07
ALogP
7
HBA
10
HBD
280.3
PSA (Ų)
0.04
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 270.0 | nM | 6.57 | Agonist activity at mouse melanocortin receptor 4 expressed in HEK293 cells asse... | 32184956 |
| Melanocortin receptor 5 | EC50 | = | 270.0 | nM | 6.57 | Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse... | 32184956 |
| Melanocortin receptor 3 | EC50 | = | 1300.0 | nM | 5.89 | Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells asse... | 32184956 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 1600.0 | nM | 5.8 | Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells asse... | 32184956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 4 | 3 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 3 | 2 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocyte-stimulating hormone receptor | 1 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine