Compound Detail
CHEMBL4463502
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CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](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(CCCCn3cc(-c4cccc(N(C)C)c4)nn3)C(=O)O[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4463502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ILABRVMTEXIIHH-NUDLXISRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
873.1
MW (Da)
5.09
ALogP
15
HBA
1
HBD
175.1
PSA (Ų)
0.17
QED
3
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial 70S ribosome CHEMBL2363135 | Kd | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial 70S ribosome | Kd | = | 1.4 | nM | 8.85 | Binding affinity to Escherichia coli 70S ribosome assessed as reduction in BODIP... | 31820982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31820982 | 10.1021/acs.jmedchem.9b01183 | Bacterial 70S ribosome | 2 |
| 31820982 | 10.1021/acs.jmedchem.9b01183 | Streptococcus pneumoniae | 1 |
Data from ChEMBL 36 via Core Engine