Compound Detail
CHEMBL4281814
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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CC(CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCC[C@@H]1NC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)[C@@H](C)O)C(C)O)C(C)C)C(=O)NC(CC(=O)N[C@@H](CC(N)=O)C(=O)O)CC(C)C
Basic Information
| ChEMBL ID | CHEMBL4281814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUCSSNDOXGVZDL-PYFQRDJVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
3401.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vasoactive intestinal polypeptide receptor 1 CHEMBL5144 | EC50 | 8.35 | 8.35 | 4.4 | 1 |
| Vasoactive intestinal polypeptide receptor 2 CHEMBL4532 | EC50 | 6.58 | 6.58 | 262.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vasoactive intestinal polypeptide receptor 1 | EC50 | = | 4.426 | nM | 8.35 | Agonist activity at human VIPR1 expressed in CHOK1 cells assessed as intracellul... | - |
| Vasoactive intestinal polypeptide receptor 2 | EC50 | = | 262.4 | nM | 6.58 | Agonist activity at human VIPR2 expressed in CHOK1 cells assessed as intracellul... | - |
Data from ChEMBL 36 via Core Engine