Molecule Details
| InChIKey | PGBHMTALBVVCIT-VCIWKGPPSA-N |
|---|---|
| Compound Name | Neomycin |
| Canonical SMILES | NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 59 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.45 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB00452 |
|---|---|
| Drug Name | Framycetin |
| CAS Number | 119-04-0 |
| Groups | approved investigational |
| ATC Codes | D09AA01 R01AX08 S01AA07 |
| Description | A component of neomycin that is produced by Streptomyces fradiae. On hydrolysis it yields neamine and neobiosamine B. (From Merck Index, 11th ed) |
Categories: Agents that produce neuromuscular block (indirect) Aminoglycoside Antibacterials Anti-Bacterial Agents Anti-Infective Agents Carbohydrates Dermatologicals Glycosides Medicated Dressings Medicated Dressings With Antiinfectives Nasal Preparations Nephrotoxic agents Ophthalmologicals Sensory Organs
Cross-references: BindingDB: 19 ChEBI: 7508 CHEMBL184618 ChemSpider: 8075 Drugs Product Database (DPD): 8626 C01737 D05140 PDB: NMY PharmGKB: PA164743181 PubChem:8378 PubChem:46508892 RxCUI: 4556 Therapeutic Targets Database: DNC001005 Wikipedia: Neomycin ZINC: ZINC000071928291
Target Activities (59)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.7 | IC50 | BindingDB |
| Q8NER1 | TRPV1 | Homo sapiens | Human | PF00023 PF12796 PF00520 | 6.4 | IC50 | ChEMBL |
| P02358 | rpsF | Escherichia coli (strain K12) | Pathogen | PF01250 | 7.5 | IC50 | ChEMBL |
| P02359 | rpsG | Escherichia coli (strain K12) | Pathogen | PF00177 | 7.5 | IC50 | ChEMBL |
| P02413 | rplO | Escherichia coli (strain K12) | Pathogen | PF00828 | 7.5 | IC50 | ChEMBL |
| P0A7J3 | rplJ | Escherichia coli (strain K12) | Pathogen | PF00466 | 7.5 | IC50 | ChEMBL |
| P0A7J7 | rplK | Escherichia coli (strain K12) | Pathogen | PF00298 PF03946 | 7.5 | IC50 | ChEMBL |
| P0A7K2 | rplL | Escherichia coli (strain K12) | Pathogen | PF00542 PF16320 | 7.5 | IC50 | ChEMBL |
| P0A7K6 | rplS | Escherichia coli (strain K12) | Pathogen | PF01245 | 7.5 | IC50 | ChEMBL |
| P0A7L0 | rplA | Escherichia coli (strain K12) | Pathogen | PF00687 | 7.5 | IC50 | ChEMBL |
| P0A7L3 | rplT | Escherichia coli (strain K12) | Pathogen | PF00453 | 7.5 | IC50 | ChEMBL |
| P0A7L8 | rpmA | Escherichia coli (strain K12) | Pathogen | PF01016 | 7.5 | IC50 | ChEMBL |
| P0A7M2 | rpmB | Escherichia coli (strain K12) | Pathogen | PF00830 | 7.5 | IC50 | ChEMBL |
| P0A7M6 | rpmC | Escherichia coli (strain K12) | Pathogen | PF00831 | 7.5 | IC50 | ChEMBL |
| P0A7M9 | rpmE | Escherichia coli (strain K12) | Pathogen | PF01197 | 7.5 | IC50 | ChEMBL |
| P0A7N1 | ykgM | Escherichia coli (strain K12) | Pathogen | PF01197 | 7.5 | IC50 | ChEMBL |
| P0A7N4 | rpmF | Escherichia coli (strain K12) | Pathogen | PF01783 | 7.5 | IC50 | ChEMBL |
| P0A7N9 | rpmG | Escherichia coli (strain K12) | Pathogen | PF00471 | 7.5 | IC50 | ChEMBL |
| P0A7P5 | rpmH | Escherichia coli (strain K12) | Pathogen | PF00468 | 7.5 | IC50 | ChEMBL |
| P0A7Q1 | rpmI | Escherichia coli (strain K12) | Pathogen | PF01632 | 7.5 | IC50 | ChEMBL |
| P0A7Q6 | rpmJ | Escherichia coli (strain K12) | Pathogen | PF00444 | 7.5 | IC50 | ChEMBL |
| P0A7R5 | rpsJ | Escherichia coli (strain K12) | Pathogen | PF00338 | 7.5 | IC50 | ChEMBL |
| P0A7R9 | rpsK | Escherichia coli (strain K12) | Pathogen | PF00411 | 7.5 | IC50 | ChEMBL |
| P0A7S3 | rpsL | Escherichia coli (strain K12) | Pathogen | PF00164 | 7.5 | IC50 | ChEMBL |
| P0A7S9 | rpsM | Escherichia coli (strain K12) | Pathogen | PF00416 | 7.5 | IC50 | ChEMBL |
| P0A7T3 | rpsP | Escherichia coli (strain K12) | Pathogen | PF00886 | 7.5 | IC50 | ChEMBL |
| P0A7T7 | rpsR | Escherichia coli (strain K12) | Pathogen | PF01084 | 7.5 | IC50 | ChEMBL |
| P0A7U3 | rpsS | Escherichia coli (strain K12) | Pathogen | PF00203 | 7.5 | IC50 | ChEMBL |
| P0A7U7 | rpsT | Escherichia coli (strain K12) | Pathogen | PF01649 | 7.5 | IC50 | ChEMBL |
| P0A7V0 | rpsB | Escherichia coli (strain K12) | Pathogen | PF00318 | 7.5 | IC50 | ChEMBL |
| P0A7V3 | rpsC | Escherichia coli (strain K12) | Pathogen | PF07650 PF00189 | 7.5 | IC50 | ChEMBL |
| P0A7V8 | rpsD | Escherichia coli (strain K12) | Pathogen | PF00163 PF01479 | 7.5 | IC50 | ChEMBL |
| P0A7W1 | rpsE | Escherichia coli (strain K12) | Pathogen | PF00333 PF03719 | 7.5 | IC50 | ChEMBL |
| P0A7W7 | rpsH | Escherichia coli (strain K12) | Pathogen | PF00410 | 7.5 | IC50 | ChEMBL |
| P0A7X3 | rpsI | Escherichia coli (strain K12) | Pathogen | PF00380 | 7.5 | IC50 | ChEMBL |
| P0AA10 | rplM | Escherichia coli (strain K12) | Pathogen | PF00572 | 7.5 | IC50 | ChEMBL |
| P0ADY3 | rplN | Escherichia coli (strain K12) | Pathogen | PF00238 | 7.5 | IC50 | ChEMBL |
| P0ADY7 | rplP | Escherichia coli (strain K12) | Pathogen | PF00252 | 7.5 | IC50 | ChEMBL |
| P0ADZ0 | rplW | Escherichia coli (strain K12) | Pathogen | PF00276 | 7.5 | IC50 | ChEMBL |
| P0ADZ4 | rpsO | Escherichia coli (strain K12) | Pathogen | PF00312 | 7.5 | IC50 | ChEMBL |
| P0AG44 | rplQ | Escherichia coli (strain K12) | Pathogen | PF01196 | 7.5 | IC50 | ChEMBL |
| P0AG48 | rplU | Escherichia coli (strain K12) | Pathogen | PF00829 | 7.5 | IC50 | ChEMBL |
| P0AG51 | rpmD | Escherichia coli (strain K12) | Pathogen | PF00327 | 7.5 | IC50 | ChEMBL |
| P0AG55 | rplF | Escherichia coli (strain K12) | Pathogen | PF00347 | 7.5 | IC50 | ChEMBL |
| P0AG59 | rpsN | Escherichia coli (strain K12) | Pathogen | PF00253 | 7.5 | IC50 | ChEMBL |
| P0AG63 | rpsQ | Escherichia coli (strain K12) | Pathogen | PF00366 | 7.5 | IC50 | ChEMBL |
| P0AG67 | rpsA | Escherichia coli (strain K12) | Pathogen | PF00575 | 7.5 | IC50 | ChEMBL |
| P0C018 | rplR | Escherichia coli (strain K12) | Pathogen | PF00861 | 7.5 | IC50 | ChEMBL |
| P60422 | rplB | Escherichia coli (strain K12) | Pathogen | PF03947 PF00181 | 7.5 | IC50 | ChEMBL |
| P60438 | rplC | Escherichia coli (strain K12) | Pathogen | PF00297 | 7.5 | IC50 | ChEMBL |
| P60624 | rplX | Escherichia coli (strain K12) | Pathogen | PF00467 PF17136 | 7.5 | IC50 | ChEMBL |
| P60723 | rplD | Escherichia coli (strain K12) | Pathogen | PF00573 | 7.5 | IC50 | ChEMBL |
| P61175 | rplV | Escherichia coli (strain K12) | Pathogen | PF00237 | 7.5 | IC50 | ChEMBL |
| P62399 | rplE | Escherichia coli (strain K12) | Pathogen | PF00281 PF00673 | 7.5 | IC50 | ChEMBL |
| P68679 | rpsU | Escherichia coli (strain K12) | Pathogen | PF01165 | 7.5 | IC50 | ChEMBL |
| P68919 | rplY | Escherichia coli (strain K12) | Pathogen | PF01386 | 7.5 | IC50 | ChEMBL |
| Q2EEQ2 | ykgO | Escherichia coli (strain K12) | Pathogen | PF00444 | 7.5 | IC50 | ChEMBL |
| Q77Y21 | rev | Human immunodeficiency virus type 1 group M subtype B (isolate HXB2) | Pathogen | PF00424 | 6.8 | Kd | ChEMBL |
| P15917 | lef | Bacillus anthracis | Pathogen | PF09156 PF07737 | 6.3 | Ki | ChEMBL;BindingDB |