Compound Detail
CHEMBL96531
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
CC(=O)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)CCc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL96531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OQLULEULDRFDPX-BQWZEOMXSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
721.9
MW (Da)
1.01
ALogP
6
HBA
8
HBD
239.7
PSA (Ų)
0.05
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.15 | 6.15 | 714.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.11 | 5.11 | 7730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | EC50 | = | 714.0 | nM | 6.15 | In vitro activation of mouse recombinant Melanocortin-4 receptor. | 12061882 |
| Melanocortin receptor 5 | EC50 | = | 2400.0 | nM | 5.62 | In vitro activation of mouse recombinant Melanocortin-5 receptor. | 12061882 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 7730.0 | nM | 5.11 | In vitro activation of mouse recombinant Melanocortin-1 receptor. | 12061882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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