Compound Detail
CHEMBL3335485
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CC[C@H]1OC(=O)[C@H](C)C(=O)C[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCCCn3cnc(-c4cccnc4)c3)C(=O)O[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3335485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIUKNKKEDPOIFI-AAMALOAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
798.0
MW (Da)
4.68
ALogP
14
HBA
1
HBD
171.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial 70S ribosome CHEMBL2363135 | Kd | 8.19 | 8.19 | 6.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial 70S ribosome | Kd | = | 6.4 | nM | 8.19 | Binding affinity to Escherichia coli ribosomes after 2 hrs by fluorescence polar... | 25221660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25221660 | 10.1021/ml5002097 | Escherichia coli | 3 |
| 25221660 | 10.1021/ml5002097 | Staphylococcus aureus | 2 |
| 25221660 | 10.1021/ml5002097 | Bacterial 70S ribosome | 1 |
| 25221660 | 10.1021/ml5002097 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine