Molecule Details
| InChIKey | GMADAIONXCOQMH-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[3-[4-(3-Aminopropyl)piperazin-1-yl]propylamino]-3-[2-(4-sulfamoylphenyl)ethyl]thiourea |
| Canonical SMILES | NCCCN1CCN(CCCN/N=C(\S)NCCc2ccc(S(N)(=O)=O)cc2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.79 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O43570 | CA12 | Homo sapiens | Human | PF00194 | 7.2 | Ki | ChEMBL;BindingDB |
| P00918 | CA2 | Homo sapiens | Human | PF00194 | 6.7 | Ki | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.7 | pIC50 | TTD_MultiTarget |
| P00915 | CA1 | Homo sapiens | Human | PF00194 | 6.5 | Ki | ChEMBL;BindingDB |