Compound Detail
CHEMBL1802478
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N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(N1CCCCC1)N1CCCCC1
Basic Information
| ChEMBL ID | CHEMBL1802478 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHKGVVCZCPJAER-FDXDWZSASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
982.2
MW (Da)
-0.90
ALogP
12
HBA
11
HBD
309.5
PSA (Ų)
0.03
QED
3
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor CHEMBL5852 | EC50 | 5.92 | 5.92 | 1198.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor | EC50 | = | 1198.0 | nM | 5.92 | 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