Compound Detail
CHEMBL2094349
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Basic Information
| ChEMBL ID | CHEMBL2094349 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUBQYFJKIYWZBD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
236.1
MW (Da)
1.88
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 6.08 | 5.375 | 830.0 | 2 |
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 6.04 | 6.04 | 921.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | IC50 | = | 830.0 | nM | 6.08 | Inhibition of Helicobacter pylori ATCC 43504 urease assessed as reduction in amm... | 29983280 |
| Trypanosoma brucei brucei | IC50 | = | 921.0 | nM | 6.04 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
| Urease subunit alpha/Urease subunit beta | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of urease in Helicobacter pylori ATCC 43504 assessed as reduction in ... | 29983280 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29983280 | 10.1016/j.bmc.2018.07.003 | Urease subunit alpha/Urease subunit beta | 4 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine