Compound Detail
CHEMBL138100
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CC(=O)N(CC(=O)N(CC(=O)N(CCCCN=C(N)N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL138100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCYJMYPHKDVHFV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
720.9
MW (Da)
2.61
ALogP
6
HBA
3
HBD
188.7
PSA (Ų)
0.08
QED
1
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocyte-stimulating hormone receptor | EC50 | = | 7600.0 | nM | 5.12 | Agonistic activity evaluated at melanocortin 1 receptor (MC1R) of mouse HEK293 c... | 14643357 |
| Melanocortin receptor 5 | EC50 | = | 20000.0 | nM | 4.7 | Agonistic activity evaluated at melanocortin 5 receptor (MC5R) of mouse HEK293 c... | 14643357 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14643357 | 10.1016/j.bmcl.2003.08.078 | Melanocyte-stimulating hormone receptor | 1 |
| 14643357 | 10.1016/j.bmcl.2003.08.078 | Melanocortin receptor 3 | 1 |
| 14643357 | 10.1016/j.bmcl.2003.08.078 | Melanocortin receptor 4 | 1 |
| 14643357 | 10.1016/j.bmcl.2003.08.078 | Melanocortin receptor 5 | 1 |
Data from ChEMBL 36 via Core Engine