Compound Detail
CHEMBL1802379
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CN(C)C(=NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C
Basic Information
| ChEMBL ID | CHEMBL1802379 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LYQBEHIYIHUDGI-ZZTWKDBPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
857.0
MW (Da)
-1.64
ALogP
9
HBA
10
HBD
289.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor CHEMBL5852 | EC50 | 6.34 | 6.34 | 455.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor | EC50 | = | 455.0 | nM | 6.34 | Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 c... | 21623631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21623631 | 10.1021/jm200418c | Pyroglutamylated RF-amide peptide receptor | 1 |
Data from ChEMBL 36 via Core Engine