Molecule Details
| InChIKey | UPENPAQNDNZZTP-INIZCTEOSA-N |
|---|---|
| Compound Name | (2S)-2-[[4-[acetyl-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]amino]benzoyl]amino]pentanedioic acid |
| Canonical SMILES | CC(=O)N(CCc1cc2c(=O)[nH]c(N)nc2[nH]1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.6 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14207 | FOLR2 | Homo sapiens | Human | PF03024 | 8.8 | IC50 | ChEMBL;BindingDB |
| P15328 | FOLR1 | Homo sapiens | Human | PF03024 | 8.3 | IC50 | ChEMBL;BindingDB |
| P22102 | GART | Homo sapiens | Human | PF00586 PF02769 PF00551 PF01071 PF02843 PF02844 | 7.7 | IC50 | ChEMBL;BindingDB |
| Q96NT5 | SLC46A1 | Homo sapiens | Human | PF07690 | 7.1 | IC50 | ChEMBL;BindingDB |
| P41440 | SLC19A1 | Homo sapiens | Human | PF01770 | 6.1 | IC50 | ChEMBL;BindingDB |