Molecule Details
| InChIKey | MMWCIQZXVOZEGG-XJTPDSDZSA-N |
|---|---|
| Compound Name | Ins(1,4,5)P3 |
| Canonical SMILES | O=P(O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.04 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03401 |
|---|---|
| Drug Name | 1D-myo-inositol 1,4,5-trisphosphate |
| CAS Number | 85166-31-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | Intracellular messenger formed by the action of phospholipase C on phosphatidylinositol 4,5-bisphosphate, which is one of the phospholipids that make up the cell membrane. Inositol 1,4,5-trisphosphate is released into the cytoplasm where it releases calcium ions from internal stores within the cell&... |
Categories: Alcohols Carbohydrates Inositol 1,4,5-Trisphosphate Inositol Phosphates Sugar Alcohols Sugar Phosphates
Cross-references: BindingDB: 50075183 ChEBI: 16595 CHEMBL279107 ChemSpider: 388562 C01245 PDB: I3P PubChem:439456 PubChem:46506346 ZINC: ZINC000004095598
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q14571 | ITPR2 | Homo sapiens | Human | PF08709 PF00520 PF02815 PF08454 PF01365 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q14573 | ITPR3 | Homo sapiens | Human | PF08709 PF00520 PF02815 PF08454 PF01365 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q14643 | ITPR1 | Homo sapiens | Human | PF08709 PF00520 PF02815 PF08454 PF01365 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (9)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P23677 | P23677 | Inositol-trisphosphate 3-kinase A | binder | targets |
| P35241 | RDX | Radixin | binder | targets |
| P51178 | PLCD1 | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase delta-1 | binder | targets |
| Q01082 | SPTBN1 | Spectrin beta chain, non-erythrocytic 1 | binder | targets |
| Q99418 | Q99418 | Cytohesin-2 | binder | targets |
| Q9Y6I3 | Q9Y6I3 | Epsin-1 | binder | targets |
| Q14571 | ITPR2 | Inositol 1,4,5-trisphosphate-gated calcium channel ITPR2 | inhibitor | targets |
| Q14573 | ITPR3 | Inositol 1,4,5-trisphosphate-gated calcium channel ITPR3 | inhibitor | targets |
| Q14643 | ITPR1 | Inositol 1,4,5-trisphosphate-gated calcium channel ITPR1 | inhibitor | targets |