Compound Detail
CHEMBL525634
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL525634 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | LVRVABPNVHYXRT-BQWXUCBYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2699.1
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Motilin receptor CHEMBL2203 | EC50 | 10.4 | 9.705 | 0.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 9.8 | 9.72 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Motilin receptor | EC50 | = | 0.03981 | nM | 10.4 | Agonist activity at human recombinant motilin receptor expressed in CHO cells as... | 19191554 |
| Unchecked | EC50 | = | 0.16 | nM | 9.8 | Agonist activity at rabbit GPR38 expressed in COS-7 cells | 35051575 |
| Unchecked | EC50 | = | 0.23 | nM | 9.64 | Ex vivo agonist activity at GPR38 in rabbit duodenum muscle tissue assessed as i... | 35051575 |
| Motilin receptor | EC50 | = | 0.97 | nM | 9.01 | Agonist activity at human GPR38 expressed in COS-7 cells | 35051575 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19191554 | 10.1021/jm801332q | Motilin receptor | 2 |
| 35051575 | 10.1016/j.bmcl.2022.128554 | Unchecked | 2 |
| 35051575 | 10.1016/j.bmcl.2022.128554 | Motilin receptor | 1 |
Data from ChEMBL 36 via Core Engine