Compound Detail
CHEMBL3092402
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Basic Information
| ChEMBL ID | CHEMBL3092402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GNTPQQUJBAFHOR-MRLBHPIUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
310.3
MW (Da)
-1.79
ALogP
7
HBA
5
HBD
119.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type 1 fimbrin D-mannose specific adhesin CHEMBL4837 | Kd | 9.19 | 9.19 | 0.7 | 1 |
| Unchecked CHEMBL612545 | Kd | 7.74 | 7.585 | 18.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type 1 fimbrin D-mannose specific adhesin | Kd | = | 0.65 | nM | 9.19 | Binding affinity to Escherichia coli FimH | - |
| Unchecked | Kd | = | 18.3 | nM | 7.74 | Binding affinity to Escherichia coli J96 FimH lectin domain (Phe1 to Thr158) exp... | 24900609 |
| Unchecked | Kd | = | 36.9 | nM | 7.43 | Binding affinity to Escherichia coli J96 FimH lectin domain (Phe1 to Thr158) exp... | 24900609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00093E | Type 1 fimbrin D-mannose specific adhesin | 3 |
| 24900609 | 10.1021/ml400269v | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine