Molecule Details
| InChIKey | USPFJPDEADLGIG-HSZRJFAPSA-N |
|---|---|
| Compound Name | (20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethano-12,14-etheno-6,10-metheno-18H-benz(D)imidazo(4,3-K)(1,6,9,12)oxatriaza-cyclooctadecosine-9-carbonitrile |
| Canonical SMILES | N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CC[C@@H](NCc3cncn3C2)C1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.8 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08674 |
|---|---|
| Drug Name | (20S)-19,20,21,22-TETRAHYDRO-19-OXO-5H-18,20-ETHANO-12,14-ETHENO-6,10-METHENO-18H-BENZ[D]IMIDAZO[4,3-K][1,6,9,12]OXATRIAZA-CYCLOOCTADECOSINE-9-CARBONITRILE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 14010 CHEMBL496879 PDB: U49 PubChem:23646577 PubChem:99445145 ZINC: ZINC000003870365