Compound Detail
CHEMBL2029141
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O=S(=O)(O)OC[C@@H]1O[C@@H](O[C@H]2[C@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)C(OS(=O)(=O)O)O[C@H]2COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL2029141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYHQOPDVWXHUIS-JSZUBSNSSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
982.8
MW (Da)
-6.78
ALogP
27
HBA
8
HBD
536.5
PSA (Ų)
0.05
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 1 CHEMBL2120 | Kd | 5.92 | 5.92 | 1200.0 | 1 |
| Fibroblast growth factor 2 CHEMBL3107 | Kd | 4.88 | 4.88 | 13300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 1 | Kd | = | 1200.0 | nM | 5.92 | Dissociation constant for Fibroblast growth factor 1 | 15027859 |
| Fibroblast growth factor 2 | Kd | = | 13300.0 | nM | 4.88 | Dissociation constant for Fibroblast growth factor 2 | 15027859 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15027859 | 10.1021/jm030447t | Fibroblast growth factor 1 | 2 |
| 15027859 | 10.1021/jm030447t | Fibroblast growth factor 2 | 2 |
Data from ChEMBL 36 via Core Engine