Molecule Details
| InChIKey | OYFMQDVLFYKOPZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Ifidancitinib |
| Canonical SMILES | COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.87 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16191 |
|---|---|
| Drug Name | Ifidancitinib |
| CAS Number | 1236667-40-5 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Ifidancitinib is under investigation in clinical trial NCT03585296 (A Study of ATI-502 Topical Solution for the Treatment of Atopic Dermatitis). |
Categories: Adrenal Cortex Hormones Fused-Ring Compounds Norpregnanes Norpregnatrienes Norsteroids Reproductive Control Agents Steroids
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 8.0 | IC50 | ChEMBL;BindingDB |
| P23458 | JAK1 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 7.7 | IC50 | ChEMBL;BindingDB |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | IC50 | ChEMBL;BindingDB |
| O60674 | JAK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.3 | IC50 | ChEMBL;BindingDB |
| P05177 | CYP1A2 | Homo sapiens | Human | PF00067 | 6.0 | Ki | ChEMBL;BindingDB |