Compound Detail
CHEMBL1232205
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Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL1232205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIKGWCTVFSRMJU-KVQBGUIXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.2
MW (Da)
-1.42
ALogP
11
HBA
6
HBD
232.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.31
Ki 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 CHEMBL4985 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 CHEMBL4985 | Ki | 4.3 | 4.3 | 50300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 | IC50 | = | 49000.0 | nM | 4.31 | Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fu... | 25438767 |
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 | Ki | = | 50300.0 | nM | 4.3 | Inhibition of human recombinant alpha1,3-fucosyltransferase 9 using GDP-[14C]-fu... | 25438767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25438767 | 10.1016/j.bmc.2014.09.038 | 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase 9 | 3 |
| 25438767 | 10.1016/j.bmc.2014.09.038 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine