Compound Detail
CHEMBL3397486
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CC(=O)N[C@H]1[C@@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CNc2cccc(NC(=O)CCCCC3CCSS3)c2)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1OS(=O)(=O)[O-].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL3397486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CADLKJUNYRPSTK-MTROHVIHSA-L |
| Parent Compound | CHEMBL3559014 |
| Active Moiety | CHEMBL3559014 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
920.0
MW (Da)
-3.10
ALogP
21
HBA
13
HBD
369.9
PSA (Ų)
0.03
QED
3
Ro5 Violations
22
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fibroblast growth factor 2 CHEMBL3107 | Kd | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fibroblast growth factor 2 | Kd | = | 62.0 | nM | 7.21 | Binding affinity to basic fibroblast growth factor (unknown origin) using sugar ... | 25765912 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25765912 | 10.1016/j.bmcl.2015.02.054 | Fibroblast growth factor 2 | 1 |
Data from ChEMBL 36 via Core Engine