Compound Detail
CHEMBL609638
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CC1CC(OP(=O)(O)OP(=O)(O)OC[C@H]2OC(n3cnc4c(O)nc(N)nc43)[C@H](O)[C@@H]2O)C(O)C(O)C1O
Basic Information
| ChEMBL ID | CHEMBL609638 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNISBEGIYMLVEB-UWWRKMQXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
587.4
MW (Da)
-2.52
ALogP
17
HBA
9
HBD
302.5
PSA (Ų)
0.14
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5 CHEMBL3146 | Ki | 4.17 | 4.17 | 67100.0 | 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 FUT5 | Ki | = | 67100.0 | nM | 4.17 | Inhibition of Fucosyltransferase 5 by the compound was evaluated; Competitive in... | 14741245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741245 | 10.1016/j.bmcl.2003.12.003 | 4-galactosyl-N-acetylglucosaminide 3-alpha-L-fucosyltransferase FUT5 | 1 |
Data from ChEMBL 36 via Core Engine