Molecule Details
| InChIKey | UQZCQKXJAXKZQH-LBPRGKRZSA-N |
|---|---|
| Compound Name | Atamparib |
| Canonical SMILES | C[C@@H](COCCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cn[nH]c(=O)c1C(F)(F)F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.83 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB19028 |
|---|---|
| Drug Name | Atamparib |
| CAS Number | 2381037-82-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Atamparib is under investigation in clinical trial NCT05127590 (RBN-2397 in Combination With Pembrolizumab in Patients With SCCL). |
Cross-references: CHEMBL5095043 ChemSpider: 92169541 PDB: QO4
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q7Z3E1 | TIPARP | Homo sapiens | Human | PF00644 | 8.5 | IC50 | ChEMBL;BindingDB |
| Q9UGN5 | PARP2 | Homo sapiens | Human | PF00644 PF02877 PF05406 | 7.8 | IC50 | ChEMBL;BindingDB |
| Q9H0J9 | PARP12 | Homo sapiens | Human | PF00644 PF24356 PF02825 PF23466 PF25261 | 7.6 | IC50 | ChEMBL |
| P09874 | PARP1 | Homo sapiens | Human | PF00533 PF21728 PF00644 PF02877 PF05406 PF00645 PF08063 | 7.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q7Z3E1 | TIPARP | Protein mono-ADP-ribosyltransferase TIPARP | inhibitor | targets |