Compound Detail
CHEMBL1167
SPECTINOMYCIN 💊 Approved Drug
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💊 Approved Drug
CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@@]3(O)C(=O)C[C@@H](C)O[C@H]3O[C@@H]2[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1167 |
| Name | SPECTINOMYCIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | UNFWWIHTNXNPBV-WXKVUWSESA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
20
Publications
7
Known Names
2
Indications
Molecular Properties
332.4
MW (Da)
-2.93
ALogP
9
HBA
5
HBD
129.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1971 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Osteomyelitis
ATC Classification
J01XX04
spectinomycin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Escherichia coli CHEMBL354 | IC50 | 6.0 | 6.0 | 990.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.99 | mL.min-1.kg-1 | Homo sapiens |
| MRT | 2.2 | hr | Homo sapiens |
| T1/2 | 1.8 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Escherichia coli | IC50 | = | 990.0 | nM | 6.0 | Inhibition of bacterial protein synthesis in cell-free Escherichia coli incubate... | 30086230 |
Literature References
Data from ChEMBL 36 via Core Engine