Compound Detail
CHEMBL432895
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CC(=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 | CHEMBL432895 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LUCUFURZWPZEOH-KMDXXIMOSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
548.6
MW (Da)
-0.03
ALogP
5
HBA
7
HBD
210.6
PSA (Ų)
0.08
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.0
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.0 | 5.5 | 1000.0 | 2 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.78 | 5.78 | 1660.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | IC50 | 5.68 | 5.68 | 2081.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 5.63 | 5.63 | 2320.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.34 | 5.17 | 4540.0 | 2 |
| MCR CHEMBL614332 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1000.0 | nM | 6.0 | Activity expressed as EC50 was measured in lizard. | 7752197 |
| Melanocortin receptor 5 | EC50 | = | 1660.0 | nM | 5.78 | Functional activity at the mouse melanocortin 5 receptor | 11405661 |
| Melanocortin receptor 4 | IC50 | = | 2081.0 | nM | 5.68 | Displacement of [125I]NDP-MSH from Melanocortin 4 receptor at 10 uM | 9216831 |
| Melanocortin receptor 4 | EC50 | = | 2320.0 | nM | 5.63 | Functional activity at the mouse melanocortin 4 receptor | 11405661 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 4540.0 | nM | 5.34 | Functional activity at the mouse melanocortin 1 receptor | 11405661 |
| Unchecked | EC50 | = | 10000.0 | nM | 5.0 | Activity expressed as EC50 was measured in frog. | 7752197 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 10000.0 | nM | 5.0 | Agonist activity at mouse MC1 receptor expressed in HEK-293 cells assessed as cA... | 26005535 |
| MCR | EC50 | = | 30000.0 | nM | 4.52 | Effective concentration was measured against frog skin(MCR) cells at 10 e-4 10 e... | 9216831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7752197 | 10.1021/jm00010a018 | Unchecked | 4 |
| 9216831 | 10.1021/jm960840h | MCR | 1 |
| 9216831 | 10.1021/jm960840h | Melanocyte-stimulating hormone receptor | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 3 | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 4 | 1 |
| 9216831 | 10.1021/jm960840h | Melanocortin receptor 5 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocyte-stimulating hormone receptor | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 3 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 4 | 1 |
| 11405661 | 10.1021/jm010061n | Melanocortin receptor 5 | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocortin receptor 3 | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocyte-stimulating hormone receptor | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocortin receptor 4 | 1 |
| 26005535 | 10.1021/acsmedchemlett.5b00053 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine