Molecule Details
| InChIKey | TUOXPJFCQDMQOX-YFKPBYRVSA-N |
|---|---|
| Compound Name | (2S)-2-methyl-2,3-dihydrothieno(2,3-f)(1,4)oxazepin-5-amine |
| Canonical SMILES | C[C@H]1CN=C(N)c2sccc2O1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.2 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07003 |
|---|---|
| Drug Name | (2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 36401 CHEMBL1221702 ChemSpider: 24605319 PDB: 329 PubChem:24894153 PubChem:99443474 ZINC: ZINC000000026310
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P35228 | NOS2 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 7.4 | IC50 | ChEMBL;BindingDB |
| P29474 | NOS3 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 | 7.1 | IC50 | ChEMBL;BindingDB |
| P29475 | NOS1 | Homo sapiens | Human | PF00667 PF00258 PF00175 PF02898 PF00595 | 7.1 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P35228 | NOS2 | Nitric oxide synthase, inducible | binder | targets |