Compound Detail
CHEMBL228194
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2cnc[nH]2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL228194 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QLYJDJQUJRZDBS-QJUMOFSRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
995.1
MW (Da)
0.25
ALogP
11
HBA
10
HBD
323.0
PSA (Ų)
0.09
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
IC50 2 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL3795 | EC50 | 7.3 | 7.3 | 50.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL3795 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 50.0 | nM | 7.3 | Agonist activity at human melanocortin receptor 1b expressed in CHO cells assess... | 17455928 |
| Melanocyte-stimulating hormone receptor | IC50 | = | 500.0 | nM | 6.3 | Displacement of [125I]NDPalphaMSH from human cloned melanocortin receptor 1b exp... | 17455928 |
| Melanocortin receptor 5 | EC50 | = | 1500.0 | nM | 5.82 | Agonist activity at human MC5R expressed in CHO cells assessed as cAMP accumulat... | 17455928 |
| Melanocortin receptor 5 | IC50 | = | 2600.0 | nM | 5.58 | Displacement of [125I]NDPalphaMSH from human cloned MC5R expressed in CHO cells | 17455928 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17455928 | 10.1021/jm0614275 | Melanocyte-stimulating hormone receptor | 3 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 3 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 4 | 2 |
| 17455928 | 10.1021/jm0614275 | Melanocortin receptor 5 | 2 |
Data from ChEMBL 36 via Core Engine