Compound Detail
CHEMBL4753150
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C[C@@H]1NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CN(Cc2ccccc2)C1=O
Basic Information
| ChEMBL ID | CHEMBL4753150 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCLJTMLYPHXJPM-NETOACFBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
949.1
MW (Da)
-0.84
ALogP
10
HBA
9
HBD
294.4
PSA (Ų)
0.06
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL3719 | Kd | 6.6 | 6.6 | 251.2 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | Kd | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | Kd | = | 251.19 | nM | 6.6 | Antagonist activity at mouse MC4R assessed as antagonist potency by alphascreen ... | 33062177 |
| Melanocortin receptor 3 | Kd | = | 3162.28 | nM | 5.5 | Antagonist activity at mouse MC3R assessed as antagonist potency by alphascreen ... | 33062177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocortin receptor 3 | 2 |
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocortin receptor 4 | 2 |
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocyte-stimulating hormone receptor | 1 |
| 33062177 | 10.1021/acsmedchemlett.9b00641 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine