Molecule Details
| InChIKey | WMBYSCVMFMNUQV-LBPRGKRZSA-N |
|---|---|
| Compound Name | (5-(3-(2-Amino-4-oxo-4,7-dihydro-3 h-pyrrolo(2,3-d)pyrimidin-6-yl)propyl)thiophene-2-carbonyl)-l-glutamic acid |
| Canonical SMILES | Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s3)cc2c(=O)[nH]1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 8.39 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB18023 |
|---|---|
| Drug Name | AGF-94 |
| CAS Number | 136784-51-5 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50354833 CHEMBL1834488 ChemSpider: 26616769 PDB: G94 ZINC: ZINC000072124809
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P14207 | FOLR2 | Homo sapiens | Human | PF03024 | 9.8 | IC50 | ChEMBL;BindingDB |
| P15328 | FOLR1 | Homo sapiens | Human | PF03024 | 9.5 | IC50 | ChEMBL;BindingDB |
| P22102 | GART | Homo sapiens | Human | PF00586 PF02769 PF00551 PF01071 PF02843 PF02844 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q96NT5 | SLC46A1 | Homo sapiens | Human | PF07690 | 7.3 | IC50 | ChEMBL;BindingDB |
| P41440 | SLC19A1 | Homo sapiens | Human | PF01770 | 7.0 | IC50 | ChEMBL;BindingDB |