Molecule Details
| InChIKey | HVXBOLULGPECHP-WAYWQWQTSA-N |
|---|---|
| Compound Name | Combretastatin A4 |
| Canonical SMILES | COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.33 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB14680 |
|---|---|
| Drug Name | Combretastatin A4 |
| CAS Number | 117048-59-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Antineoplastic Agents Antineoplastic Agents, Phytogenic Benzene Derivatives Benzylidene Compounds
Cross-references: BindingDB: 50005480 ChEBI: 181391 CHEMBL67 ChemSpider: 4508364 PDB: 7BA Wikipedia: Combretastatin_A-4 ZINC: ZINC000013452167
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P08183 | ABCB1 | Homo sapiens | Human | PF00664 PF00005 | 8.1 | IC50 | ChEMBL;BindingDB |
| O94811 | TPPP | Homo sapiens | Human | PF05517 | 7.5 | IC50 | BindingDB |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL;BindingDB |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 6.3 | IC50 | ChEMBL;BindingDB |
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 6.1 | IC50 | ChEMBL |