Compound Detail
CHEMBL5220770
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=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](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL5220770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQYWLRVRAMKFHZ-WYBJURANSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4662.5
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasoactive intestinal polypeptide receptor 1 CHEMBL5144 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| Pituitary adenylate cyclase-activating polypeptide type I receptor CHEMBL5399 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| Vasoactive intestinal polypeptide receptor 2 CHEMBL4532 | EC50 | 10.22 | 10.22 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pituitary adenylate cyclase-activating polypeptide type I receptor | EC50 | = | 0.03 | nM | 10.52 | Agonist activity at PAC1R in human SH-SY5Y cells assessed as cAMP accumulation i... | 33715378 |
| Vasoactive intestinal polypeptide receptor 1 | EC50 | = | 0.03 | nM | 10.52 | Agonist activity at VPAC1 in human SH-SY5Y cells assessed as cAMP accumulation i... | 33715378 |
| Vasoactive intestinal polypeptide receptor 2 | EC50 | = | 0.06 | nM | 10.22 | Agonist activity at VPAC2 in human SH-SY5Y cells assessed as cAMP accumulation i... | 33715378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33715378 | 10.1021/acs.jmedchem.0c01396 | Pituitary adenylate cyclase-activating polypeptide type I receptor | 1 |
| 33715378 | 10.1021/acs.jmedchem.0c01396 | Vasoactive intestinal polypeptide receptor 1 | 1 |
| 33715378 | 10.1021/acs.jmedchem.0c01396 | Vasoactive intestinal polypeptide receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine