Compound Detail
CHEMBL3960359
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
COc1cc(C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)C(C)C)ccc1CNC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL3960359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDJXIMQPAQTYBR-PHDXWTAFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1489.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Neuromedin-B receptor CHEMBL4440 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Gastrin-releasing peptide receptor CHEMBL4959 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Neuromedin-B receptor | IC50 | = | 1.2 | nM | 8.92 | Displacement of [125I]-NMB from NMB receptor in rat C6 cells | - |
| Gastrin-releasing peptide receptor | IC50 | = | 3.5 | nM | 8.46 | Displacement of [125I]-BBN from GRPR in human PC3 cells after 1 hr by compuGamma... | - |
Data from ChEMBL 36 via Core Engine