Molecule Details
| InChIKey | ACPOUJIDANTYHO-UHFFFAOYSA-N |
|---|---|
| Compound Name | anthra(1,9-cd)pyrazol-6(2H)-one |
| Canonical SMILES | O=C1c2ccccc2-c2n[nH]c3cccc1c23 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 17 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.59 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB01782 |
|---|---|
| Drug Name | Pyrazolanthrone |
| CAS Number | 129-56-6 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 50433916 ChEBI: 90695 CHEMBL7064 ChemSpider: 8201 PDB: 537 PubChem:8515 PubChem:46507936 Wikipedia: 1,9-Pyrazoloanthrone ZINC: ZINC000096298875
Target Activities (17)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P45983 | MAPK8 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 7.4 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 7.2 | IC50 | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.0 | IC50 | ChEMBL |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| P33981 | TTK | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q14680 | MELK | Homo sapiens | Human | PF02149 PF00069 PF21594 | 7.0 | IC50 | ChEMBL |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | IC50 | ChEMBL |
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 6.3 | IC50 | ChEMBL |
| P52333 | JAK3 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.2 | IC50 | ChEMBL;BindingDB |
| P19784 | CSNK2A2 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| P67870 | CSNK2B | Homo sapiens | Human | PF01214 | 6.2 | IC50 | ChEMBL |
| P68400 | CSNK2A1 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| Q8NEV1 | CSNK2A3 | Homo sapiens | Human | PF00069 | 6.2 | IC50 | ChEMBL |
| O75460 | ERN1 | Homo sapiens | Human | PF00069 PF06479 | 6.1 | IC50 | BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.1 | IC50 | ChEMBL |
| P29597 | TYK2 | Homo sapiens | Human | PF18379 PF18377 PF17887 PF07714 PF21990 | 6.1 | IC50 | ChEMBL |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9UQF2 | Q9UQF2 | C-Jun-amino-terminal kinase-interacting protein 1 | binder | targets |
| P33981 | TTK | Dual specificity protein kinase TTK | inhibitor | targets |
| P45983 | MAPK8 | Mitogen-activated protein kinase 8 | inhibitor | targets |
| P45984 | MAPK9 | Mitogen-activated protein kinase 9 | inhibitor | targets |
| P53779 | MAPK10 | Mitogen-activated protein kinase 10 | inhibitor | targets |