Molecule Details
| InChIKey | RPXDQPDLDPKBHG-VIFPVBQESA-N |
|---|---|
| Compound Name | (S)-2-({5-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanyl)-propyl]-4-methyl-thiophene-2-carbonyl}-amino)-pentanedioic acid |
| Canonical SMILES | Cc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1CCCSc1c(N)nc(N)nc1O |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.19 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P22102 | GART | Homo sapiens | Human | PF00586 PF02769 PF00551 PF01071 PF02843 PF02844 | 7.5 | Ki | ChEMBL;BindingDB |
| P15328 | FOLR1 | Homo sapiens | Human | PF03024 | 6.9 | Kd | ChEMBL;BindingDB |
| P35348 | ADRA1A | Homo sapiens | Human | PF00001 | Clinical | TTD_MultiTarget | TTD_MultiTarget |