Molecule Details
| InChIKey | USZAGAREISWJDP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Crisaborole |
| Canonical SMILES | N#Cc1ccc(Oc2ccc3c(c2)COB3O)cc1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 7 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.61 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05219 |
|---|---|
| Drug Name | Crisaborole |
| CAS Number | 906673-24-3 |
| Groups | approved investigational |
| ATC Codes | D11AH06 |
| Description | Crisaborole is a novel oxaborole approved by FDA on December 14, 2016 as Eucrisa, a topical treatment of for mild to moderate atopic dermatitis. This non-steroidal agent is efficacious in improving disease severity, reducing the risk of infection and reducing the signs and symptoms in patients 2 yea... |
Categories: Agents for Dermatitis, Excluding Corticosteroids Anti-Inflammatory Agents Cytochrome P-450 CYP2B6 Inhibitors Cytochrome P-450 CYP2B6 Inhibitors (weak) Cytochrome P-450 CYP2C8 Inhibitors Cytochrome P-450 CYP2C8 Inhibitors (moderate) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (moderate) Cytochrome P-450 Enzyme Inhibitors Dermatologicals Phosphodiesterase 4 Inhibitors Phosphodiesterase Inhibitors
Cross-references: BindingDB: 50277665 ChEBI: 134677 CHEMBL484785 ChemSpider: 24701949 Drugs Product Database (DPD): 22959 D10873 PubChem:44591583 PubChem:175426957 RxCUI: 1865953 Wikipedia: Crisaborole ZINC: ZINC000169748244
Target Activities (7)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07343 | PDE4B | Homo sapiens | Human | PF18100 PF00233 | 7.2 | IC50 | ChEMBL;BindingDB |
| P27815 | PDE4A | Homo sapiens | Human | PF18100 PF00233 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q08493 | PDE4C | Homo sapiens | Human | PF18100 PF00233 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q08499 | PDE4D | Homo sapiens | Human | PF18100 PF00233 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q13946 | PDE7A | Homo sapiens | Human | PF00233 | 6.1 | IC50 | ChEMBL;BindingDB |
| Q848S6 | bla | Klebsiella oxytoca | Pathogen | PF13354 | 6.2 | IC50 | BindingDB |
| Q93LQ9 | KPC-2 | Klebsiella pneumoniae | Pathogen | PF13354 | 6.2 | IC50 | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P10632 | CYP2C8 | Cytochrome P450 2C8 | inhibitor | enzymes |
| P11712 | CYP2C9 | Cytochrome P450 2C9 | inhibitor | enzymes |
| P20813 | CYP2B6 | Cytochrome P450 2B6 | inhibitor | enzymes |
| P27815 | PDE4A | 3',5'-cyclic-AMP phosphodiesterase 4A | inhibitor | targets |
| Q07343 | PDE4B | 3',5'-cyclic-AMP phosphodiesterase 4B | inhibitor | targets |
| Q08493 | PDE4C | 3',5'-cyclic-AMP phosphodiesterase 4C | inhibitor | targets |
| Q08499 | PDE4D | 3',5'-cyclic-AMP phosphodiesterase 4D | inhibitor | targets |