Molecule Details
| InChIKey | MJQUEDHRCUIRLF-TVIXENOKSA-N |
|---|---|
| Compound Name | Bryostatin 1 |
| Canonical SMILES | CCC/C=C/C=C/C(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H]([C@@H](C)O)OC(=O)C[C@H](O)C[C@@H]3C[C@H](OC(C)=O)C(C)(C)[C@](O)(C[C@@H]4C/C(=C/C(=O)OC)C[C@H](/C=C/C(C)(C)[C@]1(O)O2)O4)O3 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.42 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11752 |
|---|---|
| Drug Name | Bryostatin 1 |
| CAS Number | 83314-01-6 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Bryostatin 1 has been investigated for the treatment of HIV Infection and Alzheimer's Disease. |
Categories: Adjuvants, Immunologic Anti-Bacterial Agents Antineoplastic Agents Biological Factors Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 CYP3A4 Inhibitors (strength unknown) Cytochrome P-450 Enzyme Inhibitors Enzyme Activation Ethers Ethers, Cyclic Immunologic Factors Lactones Macrolides Marine Toxins Polyether Polyketides Polyether Toxins Toxins, Biological
Cross-references: BindingDB: 50258529 ChEBI: 88353 CHEMBL449158 ChemSpider: 10196541 PubChem:22524140 PubChem:347828109 Wikipedia: Bryostatin ZINC: ZINC000169357315
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q02156 | PRKCE | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.6 | Kd | BindingDB |
| P05771 | PRKCB | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.4 | Kd | BindingDB |
| Q05655 | PRKCD | Homo sapiens | Human | PF00130 PF21494 PF00069 PF00433 | 9.4 | Ki | ChEMBL;BindingDB |
| P17252 | PRKCA | Homo sapiens | Human | PF00130 PF00168 PF00069 PF00433 | 9.3 | Ki | ChEMBL;BindingDB |
DrugBank Target Actions (10)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P08684 | CYP3A4 | Cytochrome P450 3A4 | inhibitor | enzymes |
| P17252 | PRKCA | Protein kinase C alpha type | activator | targets |
| Q02156 | PRKCE | Protein kinase C epsilon type | activator | targets |
| Q15139 | PRKD1 | Serine/threonine-protein kinase D1 | activator | targets |
| P01375 | TNF | Tumor necrosis factor | inducer | targets |
| P35354 | PTGS2 | Prostaglandin G/H synthase 2 | inducer | targets |
| P42081 | P42081 | T-lymphocyte activation antigen CD86 | inducer | targets |
| P24385 | CCND1 | G1/S-specific cyclin-D1 | inhibitor | targets |
| Q14790 | CASP8 | Caspase-8 | inhibitor | targets |
| Q9Z1N9 | Q9Z1N9 | Protein unc-13 homolog B | ligand | targets |