Molecule Details
| InChIKey | NTHMDFGHOCNNOE-ZJUUUORDSA-N |
|---|---|
| Compound Name | (3R,4S)-1-({4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl}methyl)-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol |
| Canonical SMILES | CSC[C@H]1CN(Cc2c[nH]c3c(N)ncnc23)C[C@@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 9.63 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08606 |
|---|---|
| Drug Name | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 22113 CHEMBL405346 ChemSpider: 571206 PDB: TDI PubChem:656970 PubChem:99445077 ZINC: ZINC000011686540
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q13126 | MTAP | Homo sapiens | Human | PF01048 | 10.1 | Ki | ChEMBL;BindingDB |
| J7QX79 | mtnN | Escherichia coli | Pathogen | PF01048 | 11.0 | Ki | BindingDB |
| C6S634 | pfs | Neisseria meningitidis (strain alpha14) | Pathogen | PF01048 | 9.8 | Kd | BindingDB |
| A0A0H2UPP7 | mtf | Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) | Pathogen | PF01048 | 7.6 | Ki | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P0AF12 | mtnN | 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | binder | targets |