Compound Detail
CHEMBL202311
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
Basic Information
| ChEMBL ID | CHEMBL202311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJWYZPGYPZNDTN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.3
MW (Da)
0.68
ALogP
6
HBA
2
HBD
134.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3-dehydroquinate dehydratase CHEMBL4680 | Kd | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3-dehydroquinate dehydratase | Kd | = | 20000.0 | nM | 4.7 | Binding affinity for Helicobacter pylori DHQase 2 | 16480265 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480265 | 10.1021/jm0505361 | 3-dehydroquinate dehydratase | 3 |
Data from ChEMBL 36 via Core Engine