Compound Detail
CHEMBL3092404
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O=C(C[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)Nc1nc2ccccc2s1
Basic Information
| ChEMBL ID | CHEMBL3092404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTIYFQYBRXPMLQ-KVTHKLIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
-0.53
ALogP
8
HBA
5
HBD
132.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.23 | 7.23 | 59.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 59.0 | nM | 7.23 | 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 | 1 |
Data from ChEMBL 36 via Core Engine