Molecule Details
| InChIKey | OFDNQWIFNXBECV-VFSYNPLYSA-N |
|---|---|
| Compound Name | Dolastatin 10 |
| Canonical SMILES | CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 15 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.91 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12730 |
|---|---|
| Drug Name | Dolastatin 10 |
| CAS Number | 110417-88-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Dolastatin 10 has been used in trials studying the treatment of Sarcoma, Leukemia, Lymphoma, Liver Cancer, and Kidney Cancer, among others. |
Categories: Amino Acids, Peptides, and Proteins Antimitotic Agents Antineoplastic Agents Mitosis Modulators Peptides Peptides, Cyclic Tubulin Modulators
Cross-references: BindingDB: 50216333 ChEBI: 67357 CHEMBL39541 ChemSpider: 7986684 PDB: SR6 PubChem:9810929 PubChem:347828924 ZINC: ZINC000095803508
Target Activities (15)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04350 | TUBB4A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P07437 | TUBB | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P0DPH7 | TUBA3C | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P68363 | TUBA1B | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P68366 | TUBA4A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| P68371 | TUBB4B | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q13509 | TUBB3 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q13885 | TUBB2A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q3ZCM7 | TUBB8 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q6PEY2 | TUBA3E | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q71U36 | TUBA1A | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9BQE3 | TUBA1C | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9BUF5 | TUBB6 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9BVA1 | TUBB2B | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
| Q9H4B7 | TUBB1 | Homo sapiens | Human | PF00091 PF03953 | 8.9 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q13885 | TUBB2A | Tubulin beta-2A chain | inhibitor | targets |