Compound Detail
CHEMBL3092408
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Basic Information
| ChEMBL ID | CHEMBL3092408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZKUAMZMDGUPDV-OMRXRXQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.8
MW (Da)
-0.49
ALogP
6
HBA
5
HBD
119.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 6.95 | 6.95 | 113.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 113.0 | nM | 6.95 | 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