Compound Detail
CHEMBL3747132
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
C[C@H](NC(=O)c1ccccc1[Se][Se]c1ccccc1C(=O)N[C@@H](C)C(=O)O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3747132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEHWFHKNRVVIGV-RYUDHWBXSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
542.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.59
EC50 2 meas. best 5.27
Ki 1 meas. best 4.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 5.27 | 5.27 | 5380.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.99 | 4.99 | 10270.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.83 | 4.83 | 14900.0 | 1 |
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 4.59 | 4.33 | 25900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 2 | EC50 | = | 5380.0 | nM | 5.27 | Antiviral activity against HIV2 ROD infected in human MT4 cells assessed as prot... | 26613134 |
| Human immunodeficiency virus 1 | EC50 | = | 10270.0 | nM | 4.99 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed as prote... | 26613134 |
| Unchecked | Ki | = | 14900.0 | nM | 4.83 | Steady state inhibition of Sporosarcina pasteurii CCM 2056 urease using urea as ... | 27524377 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 25900.0 | nM | 4.59 | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... | 27524377 |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 85000.0 | nM | 4.07 | Inhibition of recombinant Helicobacter pylori urease expressed in Escherichia co... | 27524377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524377 | 10.1021/acs.jmedchem.6b00986 | Urease subunit alpha/Urease subunit beta | 4 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | Unchecked | 3 |
| 27524377 | 10.1021/acs.jmedchem.6b00986 | Unchecked | 3 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | Human immunodeficiency virus 1 | 2 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | Human immunodeficiency virus 2 | 1 |
| 26613134 | 10.1021/acs.jmedchem.5b01183 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine