Compound Detail
CHEMBL3144211
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O=S(=O)(O)C[C@@H]1[C@@H](O[C@]2(COS(=O)(=O)O)O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)O[C@@H](CS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1OS(=O)(=O)O
Basic Information
| ChEMBL ID | CHEMBL3144211 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPTMKZFCKGGREL-VUDBDWLISA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
964.8
MW (Da)
-6.39
ALogP
25
HBA
8
HBD
518.0
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 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 1 CHEMBL2120 | Kd | 6.13 | 6.13 | 740.0 | 1 |
| Fibroblast growth factor 2 CHEMBL3107 | Kd | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 1 | Kd | = | 740.0 | nM | 6.13 | Dissociation constant for Fibroblast growth factor 1 | 15027859 |
| Fibroblast growth factor 2 | Kd | = | 5500.0 | nM | 5.26 | 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