Compound Detail
CHEMBL104397
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CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL104397 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | OHBCPCNJWIQQPW-YRCZKMHPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
735.9
MW (Da)
0.57
ALogP
7
HBA
9
HBD
268.4
PSA (Ų)
0.03
QED
2
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.13 | 5.13 | 7400.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 7400.0 | nM | 5.13 | Agonist activity towards mouse Melanocortin-5 receptor (mMC5R) | 12086493 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 22000.0 | nM | 4.66 | Agonist activity to the mouse Melanocortin-1 receptor (mMC1R) | 12086493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12086493 | 10.1021/jm010524p | Melanocyte-stimulating hormone receptor | 1 |
| 12086493 | 10.1021/jm010524p | Melanocortin receptor 3 | 1 |
| 12086493 | 10.1021/jm010524p | Melanocortin receptor 4 | 1 |
| 12086493 | 10.1021/jm010524p | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine