Compound Detail
CHEMBL425442
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O=C(CCC(=O)N1C[C@@H]2CCCN2C[C@H]1Cc1ccccc1)NCCc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL425442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZWWUMRKSGYBFR-BJKOFHAPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
3.52
ALogP
3
HBA
2
HBD
68.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4608 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | IC50 | = | 0.1 | nM | 10.0 | Displacement of [125I]NDP-alpha-MSH from human MC5R expressed in HEK293 cells | 16931008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931008 | 10.1016/j.bmcl.2006.07.015 | Melanocortin receptor 5 | 4 |
| 16931008 | 10.1016/j.bmcl.2006.07.015 | Melanocortin receptor 4 | 3 |
| 16931008 | 10.1016/j.bmcl.2006.07.015 | Melanocyte-stimulating hormone receptor | 3 |
| 16931008 | 10.1016/j.bmcl.2006.07.015 | Melanocortin receptor 3 | 3 |
Data from ChEMBL 36 via Core Engine