Molecule Details
| InChIKey | JLFSBHQQXIAQEC-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2x-121 |
| Canonical SMILES | O=c1[nH]nc2c3c(cccc13)N=C(CN1Cc3ccccc3C1)N2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 8.07 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16063 |
|---|---|
| Drug Name | 2X-121 |
| CAS Number | 1140964-99-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | 2X-121 is under investigation in clinical trial NCT03562832 (Investigation of Anti-tumour Effect and Tolerability of the PARP Inhibitor 2X-121 in Patients With Metastatic Breast Cancer Selected by the 2X-121 DRP). |
Categories: Heterocyclic Compounds, Fused-Ring Quinazolines
Cross-references: BindingDB: 139658 CHEMBL3644587 ChemSpider: 35308197 ZINC: ZINC000059277233
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 9.0 | IC50 | ChEMBL;BindingDB |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 8.7 | IC50 | ChEMBL;BindingDB |
| O95271 | TNKS | Homo sapiens | Human | PF00023 PF12796 PF00644 PF07647 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q9H2K2 | TNKS2 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF00644 PF07647 | 7.3 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O95271 | TNKS | Poly [ADP-ribose] polymerase tankyrase-1 | inhibitor | targets |
| P09874 | PARP1 | Poly [ADP-ribose] polymerase 1 | inhibitor | targets |
| Q9H2K2 | TNKS2 | Poly [ADP-ribose] polymerase tankyrase-2 | inhibitor | targets |
| Q9UGN5 | PARP2 | Poly [ADP-ribose] polymerase 2 | inhibitor | targets |