Molecule Details
| InChIKey | NOFOAYPPHIUXJR-APNQCZIXSA-N |
|---|---|
| Compound Name | Aphidicolin |
| Canonical SMILES | C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@]3(O)CO |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.32 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB17742 |
|---|---|
| Drug Name | Aphidicolin |
| CAS Number | 38966-21-1 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Aphidicolin is an antimitotic and antiviral metabolite of the mould _Cephalosporium aphidicola_. It inhibits DNA polymerase alpha and blocks DNA replication.[A259157, A259162] |
Categories: Anti-Infective Agents Antiviral Agents Diterpenes Enzyme Inhibitors Terpenes
Cross-references: BindingDB: 50090910 ChEBI: 2766 CHEMBL29711 ChemSpider: 10280269 PDB: 2ZE Wikipedia: Aphidicolin ZINC: ZINC000003789195
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13285 | NR5A1 | Homo sapiens | Human | PF00104 PF00105 | 6.3 | IC50 | BindingDB |
| P35398 | RORA | Homo sapiens | Human | PF00104 PF00105 | 6.2 | IC50 | BindingDB |
| P28857 | U38 | Human herpesvirus 6A (strain Uganda-1102) | Pathogen | PF00136 PF03104 | 6.4 | IC50 | ChEMBL;BindingDB |
| P04292 | Human herpesvirus 1 (strain KOS) | Pathogen | PF00136 PF03104 PF11590 | 6.4 | IC50 | ChEMBL;BindingDB | |
| P08546 | UL54 | Human cytomegalovirus (strain AD169) | Pathogen | PF00136 PF03104 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P04293 | DNA polymerase catalytic subunit | inhibitor | targets |