Molecule Details
| InChIKey | YJQPYGGHQPGBLI-KGSXXDOSSA-N |
|---|---|
| Compound Name | Novobiocin |
| Canonical SMILES | CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc(O)c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.42 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01051 |
|---|---|
| Drug Name | Novobiocin |
| CAS Number | 303-81-1 |
| Groups | approved investigational vet_approved withdrawn |
| ATC Codes | nan |
| Description | Novobiocin is an antibiotic compound derived from _Streptomyces niveus_. It has a chemical structure similar to coumarin. Novobiocin binds to DNA gyrase and blocks adenosine triphosphatase (ATPase) activity. (From Reynolds, Martindale The Extra Pharmacopoeia, 30th ed, p189) Novobiocin sodium, a salt... |
Categories: Aminocoumarins Anti-Bacterial Agents Anti-Infective Agents BCRP/ABCG2 Inhibitors Benzopyrans Carbohydrates Coumarins Enzyme Inhibitors Glycosides Heterocyclic Compounds, Fused-Ring Nucleic Acid Synthesis Inhibitors OAT1/SLC22A6 inhibitors OAT3/SLC22A8 Inhibitors OATP1B1/SLCO1B1 Inhibitors OATP1B3 inhibitors Organic Anion Transporting Polypeptide 2B1 Inhibitors Pyrans
Cross-references: BindingDB: 50226181 ChEBI: 28368 CHEMBL36506 ChemSpider: 10226117 Drugs Product Database (DPD): 8547 C05080 PDB: NOV PharmGKB: PA164768819 PubChem:54675769 PubChem:46507250 RxCUI: 7538 Therapeutic Targets Database: DAP001002 Wikipedia: Novobiocin ZINC: ZINC000014879999
Target Activities (2)
DrugBank Target Actions (11)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0A0K8 | gyrB | DNA gyrase subunit B | inhibitor | targets |
| P11388 | TOP2A | DNA topoisomerase 2-alpha | inhibitor | targets |
| Q02880 | TOP2B | DNA topoisomerase 2-beta | inhibitor | targets |
| Q06AK7 | Q06AK7 | DNA topoisomerase 1 | inhibitor | targets |
| O94956 | SLCO2B1 | Solute carrier organic anion transporter family member 2B1 | inhibitor | transporters |
| Q4U2R8 | SLC22A6 | Solute carrier family 22 member 6 | inhibitor | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | inhibitor | transporters |
| Q9NPD5 | SLCO1B3 | Solute carrier organic anion transporter family member 1B3 | inhibitor | transporters |
| Q9NSA0 | SLC22A11 | Solute carrier family 22 member 11 | inhibitor | transporters |
| Q9UNQ0 | ABCG2 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | inhibitor | transporters |
| Q9Y6L6 | SLCO1B1 | Solute carrier organic anion transporter family member 1B1 | inhibitor | transporters |