Compound Detail
CHEMBL1802413
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CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)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
Basic Information
| ChEMBL ID | CHEMBL1802413 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | WHWVVIPXAAPUMD-LYWJTYPKSA-N |
1
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2832.2
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.99
IC50 1 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor CHEMBL5852 | IC50 | 8.9 | 8.9 | 1.3 | 1 |
| Pyroglutamylated RF-amide peptide receptor CHEMBL5852 | EC50 | 7.99 | 7.985 | 10.2 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.115 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyroglutamylated RF-amide peptide receptor | IC50 | = | 1.26 | nM | 8.9 | Displacement of [125I]26RFa from human GPR103 expressed in HEK293 cells incubate... | 22800498 |
| Pyroglutamylated RF-amide peptide receptor | EC50 | = | 10.2 | nM | 7.99 | Agonist activity at human GPR103 expressed in CHO cells co-expressing Galpha16 a... | 22800498 |
| Pyroglutamylated RF-amide peptide receptor | EC50 | = | 10.4 | nM | 7.98 | Agonist activity at DYKDDDDK-flagged human GPR103 receptor expressed in CHO-K1 c... | 21623631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22800498 | 10.1021/jm300507d | Pyroglutamylated RF-amide peptide receptor | 3 |
| 21623631 | 10.1021/jm200418c | Pyroglutamylated RF-amide peptide receptor | 1 |
| 22800498 | 10.1021/jm300507d | Serum | 1 |
Data from ChEMBL 36 via Core Engine