Compound Detail
CHEMBL2106399
KITASAMYCIN 🧪 Phase II
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🧪 Phase II
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL2106399 |
| Name | KITASAMYCIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | IEMDOFXTVAPVLX-YWQHLDGFSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
6
Known Names
Molecular Properties
786.0
MW (Da)
2.44
ALogP
15
HBA
4
HBD
200.0
PSA (Ų)
0.18
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Activity Summary
IC50 3 meas. best 6.0
Ki 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 6.2 | 6.2 | 625.0 | 1 |
| Bacterial 70S ribosome CHEMBL2363135 | IC50 | 6.0 | 5.565 | 1000.0 | 2 |
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 5.81 | 5.81 | 1544.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | Ki | = | 625.0 | nM | 6.2 | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | - |
| Bacterial 70S ribosome | IC50 | = | 1000.0 | nM | 6.0 | Displacement of [14C]erythromycin from Escherichia coli ribosomes after 30 mins ... | 404425 |
| Alpha-1A adrenergic receptor | IC50 | = | 1544.0 | nM | 5.81 | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | - |
| Bacterial 70S ribosome | IC50 | = | 7400.0 | nM | 5.13 | Displacement of [14C]erythromycin from Escherichia coli ribosomes after 30 mins ... | 404425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 404425 | 10.1021/jm00215a025 | Bacterial 70S ribosome | 4 |
| 404425 | 10.1021/jm00215a025 | Staphylococcus aureus | 2 |
| 404425 | 10.1021/jm00215a025 | Bacillus spizizenii | 2 |
| 404425 | 10.1021/jm00215a025 | Klebsiella pneumoniae | 2 |
Data from ChEMBL 36 via Core Engine