Molecule Details
| InChIKey | QRSMJZYCEJCRJJ-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)-4-[3,3,6,6-tetramethyl-1,8-dioxo-9-[4-[3,3,6,6-tetramethyl-1,8-dioxo-10-[4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-4,5,7,9-tetrahydro-2H-acridin-10-yl]benzamide |
| Canonical SMILES | CC1(C)CC(=O)C2=C(C1)N(c1ccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(C(=O)Nc4nnc(S(N)(=O)=O)s4)cc3)C3=C2C(=O)CC(C)(C)C3)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.99 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 7.8 | Ki | ChEMBL;BindingDB |
| P43166 | CA7 | Homo sapiens | Human | PF00194 | 7.3 | Ki | ChEMBL;BindingDB |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |
| P22748 | CA4 | Homo sapiens | Human | PF00194 | 6.4 | Ki | ChEMBL;BindingDB |