Compound Detail
CHEMBL4582657
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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](CCCNC(=N)N)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4582657 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PIHNEMPAALDULR-GPJHCHHRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
655.8
MW (Da)
-2.83
ALogP
8
HBA
12
HBD
312.0
PSA (Ų)
0.04
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 900.0 | nM | 6.05 | 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 | Melanocyte-stimulating hormone receptor | 1 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 3 | 1 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 4 | 1 |
| 32184956 | 10.1021/acsmedchemlett.9b00198 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine