Compound Detail
CHEMBL469448
D-MANNOSE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL469448 |
| Name | D-MANNOSE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | WQZGKKKJIJFFOK-QTVWNMPRSA-N |
3
Targets
10
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names
2
Indications
Molecular Properties
180.2
MW (Da)
-3.22
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Indications
Urinary Tract Infections Congenital Disorders of Glycosylation
Activity Summary
IC50 6 meas. best 4.97
Kd 3 meas. best 5.64
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type 1 fimbrin D-mannose specific adhesin CHEMBL4837 | Kd | 5.64 | 5.64 | 2300.0 | 1 |
| Lectin CHEMBL3797020 | Kd | 5.29 | 5.29 | 5150.0 | 1 |
| Lectin CHEMBL3797020 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Fucose-binding lectin PA-IIL CHEMBL4523938 | IC50 | 4.28 | 4.28 | 52000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type 1 fimbrin D-mannose specific adhesin | Kd | = | 2300.0 | nM | 5.64 | Binding affinity to Escherichia coli FimH | - |
| Lectin | Kd | = | 5150.0 | nM | 5.29 | Binding affinity to Burkholderia cenocepacia J2315 BC2L-A expressed in Escherich... | - |
| Lectin | IC50 | = | 10800.0 | nM | 4.97 | Displacement of N-(fluorescein-5-yl)-N'-(alpha-D-mannopyranosyloxyethyl)-thiocar... | - |
| Fucose-binding lectin PA-IIL | IC50 | = | 52000.0 | nM | 4.28 | Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen... | 31553873 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21481594 | 10.1016/j.bmc.2011.03.047 | Unchecked | 3 |
| 7031247 | 10.1021/jm00143a005 | Acrosin | 2 |
| - | 10.1039/C4MD00093E | Type 1 fimbrin D-mannose specific adhesin | 2 |
| - | 10.1039/C5MD00557D | Lectin | 2 |
| 31553873 | 10.1021/acs.jmedchem.9b01120 | Fucose-binding lectin PA-IIL | 2 |
| 17905738 | 10.1074/jbc.m706950200 | Unchecked | 2 |
| 17905738 | 10.1074/jbc.m706950200 | Cryptosporidium hominis | 2 |
| 17905738 | 10.1074/jbc.m706950200 | Cryptosporidium parvum | 2 |
| 17057723 | 10.1038/nchembio828 | Alpha 1,4 galactosyltransferase | 1 |
| 21295890 | 10.1016/j.ejmech.2011.01.012 | Mannosyl-oligosaccharide alpha-1,2-mannosidase isoform B | 1 |
| 21295890 | 10.1016/j.ejmech.2011.01.012 | Unchecked | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member C | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 6 member A | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member K | 1 |
| 23088608 | 10.1021/jm3010338 | Pulmonary surfactant-associated protein D | 1 |
| 23088608 | 10.1021/jm3010338 | Macrophage mannose receptor 1 | 1 |
| 23088608 | 10.1021/jm3010338 | C-type lectin domain family 4 member M | 1 |
| 23088608 | 10.1021/jm3010338 | CD209 antigen | 1 |
| 23088608 | 10.1021/jm3010338 | Mannose-binding protein C | 1 |
| 15878660 | 10.1016/j.bmcl.2005.04.024 | Molecular identity unknown | 1 |
Data from ChEMBL 36 via Core Engine