Molecule Details
| InChIKey | LOWWYYZBZNSPDT-ZBEGNZNMSA-N |
|---|---|
| Compound Name | Delgocitinib |
| Canonical SMILES | C[C@H]1CN(C(=O)CC#N)[C@]12CCN(c1ncnc3[nH]ccc13)C2 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.55 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16133 |
|---|---|
| Drug Name | Delgocitinib |
| CAS Number | 1263774-59-9 |
| Groups | approved investigational |
| ATC Codes | D11AH11 |
| Description | Delgocitinib is a pan-Janus kinase (JAK) inhibitor. After the first global approval in Japan,[A264693] delgocitinib was also approved by the European Commission on September 23, 2024.[L51913] It works to reduce the inflammatory response in inflammatory skin disorders.[A264703] On July 23, 2025, delg... |
Categories: Agents for Dermatitis, Excluding Corticosteroids Dermatologicals Janus Kinase Inhibitor OAT3/SLC22A8 Substrates OCT2 Substrates P-glycoprotein substrates
Cross-references: BindingDB: 50545650 ChEBI: 167600 CHEMBL4297507 ChemSpider: 59718502 PDB: FHX RxCUI: 2721163 ZINC: ZINC000117625213
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.9 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.6 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.6 | IC50 | ChEMBL;BindingDB |
| P40763 | STAT3 | Homo sapiens | Human | PF00017 PF01017 PF02864 PF02865 PF21354 | 7.4 | IC50 | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.2 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O60674 | JAK2 | Tyrosine-protein kinase JAK2 | inhibitor | targets |
| P23458 | JAK1 | Tyrosine-protein kinase JAK1 | inhibitor | targets |
| P29597 | TYK2 | Non-receptor tyrosine-protein kinase TYK2 | inhibitor | targets |
| P52333 | JAK3 | Tyrosine-protein kinase JAK3 | inhibitor | targets |
| O15244 | SLC22A2 | Solute carrier family 22 member 2 | substrate | transporters |
| P08183 | ABCB1 | ATP-dependent translocase ABCB1 | substrate | transporters |
| Q8TCC7 | SLC22A8 | Organic anion transporter 3 | substrate | transporters |