Molecule Details
| InChIKey | VEPKQEUBKLEPRA-UHFFFAOYSA-N |
|---|---|
| Compound Name | 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido(1,6-b)pyridazin-6-one |
| Canonical SMILES | O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.88 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07138 |
|---|---|
| Drug Name | Neflamapimod |
| CAS Number | 209410-46-8 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Neflamapimod has been used in trials studying the treatment of Alzheimer's Disease and Mild Cognitive Impairment. |
Cross-references: BindingDB: 15244 ChEBI: 90528 CHEMBL119385 ChemSpider: 2302086 PDB: 52P PubChem:3038525 PubChem:99443609 ZINC: ZINC000013493055
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 8.6 | Kd | BindingDB |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.6 | IC50 | ChEMBL |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.7 | Kd | ChEMBL;BindingDB |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 6.4 | Ki | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.1 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | Kd | ChEMBL;BindingDB |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.0 | Kd | ChEMBL;BindingDB |