Compound Detail
CHEMBL52741
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C[C@@H]1N[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(O)nc(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL52741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYHZMOGBCRKXMU-NMTIVPGBSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
572.4
MW (Da)
-2.93
ALogP
17
HBA
9
HBD
294.3
PSA (Ų)
0.14
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5 CHEMBL3146 | IC50 | 4.35 | 4.22 | 45000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5 | IC50 | = | 45000.0 | nM | 4.35 | Inhibitory activity against fucosyltransferase (FucT V) in the presence of 1 mM ... | 11459637 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5 | IC50 | = | 82000.0 | nM | 4.09 | Inhibitory activity against fucosyltransferase (FucT V) in the presence of 10 mM... | 11459637 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11459637 | 10.1016/s0960-894x(01)00282-7 | 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5 | 2 |
Data from ChEMBL 36 via Core Engine