Compound Detail
CHEMBL337571
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CNCCC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL337571 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGEJNNUETPNCPF-XMMPIXPASA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.1
MW (Da)
3.46
ALogP
6
HBA
2
HBD
92.2
PSA (Ų)
0.51
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.16
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 4 CHEMBL259 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Melanocortin receptor 4 CHEMBL259 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 4 | IC50 | = | 10.0 | nM | 8.0 | Binding activity was measured using membranes of Hi5 cells expressing the human ... | 14643322 |
| Melanocortin receptor 4 | EC50 | = | 70.0 | nM | 7.16 | Stimulation of adenylate cyclase in HEK293 cells expressing the human MC4R recep... | 14643322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643322 | 10.1016/j.bmcl.2003.09.036 | Melanocortin receptor 4 | 2 |
| 14643322 | 10.1016/j.bmcl.2003.09.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine