Molecule Details
| InChIKey | WGQKYBSKWIADBV-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | NCc1ccccc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.11 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB02464 |
|---|---|
| Drug Name | Benzylamine |
| CAS Number | 100-46-9 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Amines Benzene Derivatives Benzyl Compounds
Cross-references: BindingDB: 10999 ChEBI: 40538 CHEMBL522 ChemSpider: 7223 C15562 PDB: ABN PubChem:7504 PubChem:46507683 RxCUI: 2374339 Wikipedia: Benzylamine ZINC: ZINC000006096244
Target Activities (2)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P0DTD1 | rep | Severe acute respiratory syndrome coronavirus 2 | Pathogen | PF13087 PF16251 PF11501 PF12379 PF12124 PF11633 PF06471 PF06460 PF09401 PF20631 PF20633 PF20632 PF19215 PF19216 PF19219 PF19211 PF19218 PF16348 PF19217 PF19213 PF08716 PF08717 PF08710 PF08715 PF06478 PF01661 PF05409 PF00680 | 7.2 | IC50 | ChEMBL;BindingDB |
| P9WPL4 | cyp142 | Mycobacterium tuberculosis (strain CDC 1551 / Oshkosh) | Pathogen | PF00067 | 7.0 | Kd | BindingDB |