Compound Detail
CHEMBL4866532
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CC(C)CCCN1C(=N)N([C@H](CC2CCCCC2)N2CCC[C@H]2CN2C(=N)NC[C@H]2C(C)C)C[C@H]1[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4866532 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYHHZOHHLGFDBC-GDMSQXPWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
531.8
MW (Da)
4.35
ALogP
4
HBA
4
HBD
92.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 6.13 | 6.13 | 740.0 | 1 |
| Melanocortin receptor 3 CHEMBL4774 | EC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 700.0 | nM | 6.16 | Agonist activity at mouse melanocortin receptor 1 expressed in HEK293 cells asse... | 33886285 |
| Melanocortin receptor 5 | EC50 | = | 740.0 | nM | 6.13 | Agonist activity at mouse melanocortin receptor 5 expressed in HEK293 cells asse... | 33886285 |
| Melanocortin receptor 3 | EC50 | = | 5200.0 | nM | 5.28 | Agonist activity at mouse melanocortin receptor 3 expressed in HEK293 cells asse... | 33886285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocyte-stimulating hormone receptor | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 3 | 1 |
| 33886285 | 10.1021/acs.jmedchem.0c02041 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine