Compound Detail
CHEMBL138212
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CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O
Basic Information
| ChEMBL ID | CHEMBL138212 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | DNTXCPMOMVOUSI-DTXPUJKBSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
699.8
MW (Da)
-0.24
ALogP
7
HBA
8
HBD
259.6
PSA (Ų)
0.04
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melanocortin receptor 5 CHEMBL4489 | EC50 | 7.25 | 7.25 | 56.0 | 1 |
| Melanocyte-stimulating hormone receptor CHEMBL4077 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
| Melanocortin receptor 4 CHEMBL3719 | EC50 | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melanocortin receptor 5 | EC50 | = | 56.0 | nM | 7.25 | Agonistic activity evaluated at melanocortin 5 receptor (MC5R) of mouse HEK293 c... | 14643357 |
| Melanocyte-stimulating hormone receptor | EC50 | = | 500.0 | nM | 6.3 | Agonistic activity evaluated at melanocortin 1 receptor (MC1R) of mouse HEK293 c... | 14643357 |
| Melanocortin receptor 4 | EC50 | = | 640.0 | nM | 6.19 | Agonistic activity evaluated at melanocortin 4 receptor (MC4R) 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