Compound Detail
CHEMBL4568283
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Basic Information
| ChEMBL ID | CHEMBL4568283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GRSPEAHRJCOVAI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.8
MW (Da)
3.19
ALogP
4
HBA
2
HBD
70.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta CHEMBL3885651 | IC50 | 4.58 | 4.58 | 26200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urease subunit alpha/Urease subunit beta | IC50 | = | 26200.0 | nM | 4.58 | Inhibition of Helicobacter pylori urease using urea as substrate assessed as amm... | 27492194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27492194 | 10.1016/j.bmc.2016.07.052 | Urease subunit alpha/Urease subunit beta | 1 |
Data from ChEMBL 36 via Core Engine