Molecule Details
| InChIKey | YJGVMLPVUAXIQN-XVVDYKMHSA-N |
|---|---|
| Compound Name | Podophyllotoxin |
| Canonical SMILES | COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 19 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.6 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01179 |
|---|---|
| Drug Name | Podofilox |
| CAS Number | 518-28-5 |
| Groups | approved |
| ATC Codes | D06BB04 |
| Description | A lignan found in podophyllin resin from the roots of podophyllum plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have ... |
Categories: Antimitotic Agents Antineoplastic Agents, Phytogenic Antiviral Agents Benzene Derivatives Benzyl Compounds Decreased Mitosis Dermatologicals Keratolytic Agents Lignans Misc. Skin and Mucous Membrane Agents Mitosis Modulators Naphthalenes Tetrahydronaphthalenes Tubulin Modulators
Cross-references: BindingDB: 50035218 ChEBI: 50305 CHEMBL61 ChemSpider: 10162 Drugs Product Database (DPD): 910 C10874 PDB: POD PharmGKB: PA450993 PubChem:10607 PubChem:46505716 RxCUI: 8463 Therapeutic Targets Database: DNC001139 Wikipedia: Podophyllotoxin ZINC: ZINC000003861806
Target Activities (19)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04150 | NR3C1 | Homo sapiens | Human | PF02155 PF00104 PF00105 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q13285 | NR5A1 | Homo sapiens | Human | PF00104 PF00105 | 7.3 | IC50 | BindingDB |
| P35398 | RORA | Homo sapiens | Human | PF00104 PF00105 | 7.1 | IC50 | BindingDB |
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 6.5 | IC50 | ChEMBL |
| P08684 | CYP3A4 | Homo sapiens | Human | PF00067 | 6.2 | IC50 | ChEMBL |