Compound Detail
CHEMBL4864765
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CC(C)CCCN1C(=N)N([C@H](Cc2ccccc2)N2CCC[C@H]2CN2C(=N)NC[C@H]2CC(C)C)C[C@H]1C(C)C
Basic Information
| ChEMBL ID | CHEMBL4864765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEDILCXRDFGEKX-RRGQHJHPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
537.8
MW (Da)
5.29
ALogP
3
HBA
3
HBD
72.7
PSA (Ų)
0.32
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 1260.0 | nM | 5.9 | Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse... | 33886285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 4 | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine