Compound Detail
CHEMBL1572
NETILMICIN 💊 Approved Drug
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💊 Approved Drug
CCN[C@@H]1C[C@H](N)[C@@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@H](O)[C@H]1O[C@H]1OC[C@](C)(O)[C@H](NC)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1572 |
| Name | NETILMICIN |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | CIDUJQMULVCIBT-MQDUPKMGSA-N |
| Therapeutic | ✓ Yes |
3
Targets
7
Activities
2
Assay Types
5
PK Parameters
20
Publications
5
Known Names
3
Indications
Molecular Properties
475.6
MW (Da)
-3.20
ALogP
12
HBA
8
HBD
199.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1983 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Indications
Bacterial Infections Eye Infections Osteomyelitis
ATC Classification
J01GB07
netilmicin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
S01AA23
netilmicin
Level 1: SENSORY ORGANS
Level 2: OPHTHALMOLOGICALS
Activity Summary
IC50 6 meas. best 7.7
Kd 1 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial 70S ribosome CHEMBL2363135 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.16 | 4.9567 | 700.0 | 3 |
| Unchecked CHEMBL612545 | Kd | 5.87 | 5.87 | 1350.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.64 | 4.64 | 23100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.55 | mL.min-1.kg-1 | Homo sapiens |
| CL | 0.55 | mL.min-1.kg-1 | Homo sapiens |
| Fu | 1.0 | - | Homo sapiens |
| MRT | 2.2 | hr | Homo sapiens |
| T1/2 | 3.2 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial 70S ribosome | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Mycobacterium smegmatis wild type ribosomes assessed as inhibition... | 31303992 |
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | Inhibition of human mitochondrial ribosome Mit 13 A1555G mutant hybridized with ... | 31303992 |
| Unchecked | Kd | = | 1350.0 | nM | 5.87 | Binding affinity to HIV1 TAR RNA | 31534649 |
| Human immunodeficiency virus 1 | IC50 | = | 23100.0 | nM | 4.64 | Antiviral activity against HIV1 NL4-3 infected human TZM-bl cells assessed as re... | 31534649 |
| Unchecked | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of human mitochondrial ribosome Mit 13 hybridized with Mycobacterium ... | 31303992 |
| Unchecked | IC50 | = | 69000.0 | nM | 4.16 | Inhibition of human cytoplasmic ribosome Cyt 14 hybridized with Mycobacterium sm... | 31303992 |
Literature References
Data from ChEMBL 36 via Core Engine