Compound Detail
CHEMBL3221601
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NC[C@H]1O[C@H](O[C@H]2[C@H](OCC(=O)NCCCNC(=O)CO[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@@H](O)[C@H](N)C[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3221601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJPNTQMFZJHMRM-DGBOHEKLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
798.9
MW (Da)
-10.55
ALogP
22
HBA
16
HBD
443.1
PSA (Ų)
0.06
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1100.0 | nM | 5.96 | Binding affinity to biotinylated Escherichia coli 16S rRNA A-site | 28018574 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28018574 | 10.1039/c2md00253a | Unchecked | 4 |
| 28018574 | 10.1039/c2md00253a | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine