Compound Detail
CHEMBL3092403
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Basic Information
| ChEMBL ID | CHEMBL3092403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPHBOBPNUZWASC-GCHJQGSQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
-0.66
ALogP
7
HBA
4
HBD
99.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.85 | 7.535 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 14.0 | nM | 7.85 | Binding affinity to Escherichia coli J96 FimH lectin domain (Phe1 to Thr158) exp... | 24900609 |
| Unchecked | Kd | = | 59.5 | nM | 7.22 | Binding affinity to Escherichia coli J96 FimH lectin domain (Phe1 to Thr158) exp... | 24900609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900609 | 10.1021/ml400269v | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine