Compound Detail
CHEMBL5275425
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C[C@@H]1O[C@@H](OC2=C(c3ccc(O)c(O)c3)Oc3cc(O)cc(O)c3[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5275425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIRXIZPRZDHLER-IPGYZZKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
0.15
ALogP
11
HBA
8
HBD
189.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sortase A CHEMBL5362 | IC50 | 4.14 | 4.14 | 71800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sortase A | IC50 | = | 71800.0 | nM | 4.14 | Inhibition of Staphylococcus aureus SrtA using EDANS-Dabcyl as substrate by FRET... | 34516107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34516107 | 10.1021/acs.jmedchem.1c00386 | Sortase A | 1 |
Data from ChEMBL 36 via Core Engine