Molecule Details
| InChIKey | MHXGEROHKGDZGO-UHFFFAOYSA-N |
|---|---|
| Compound Name | N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine |
| Canonical SMILES | CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12494 |
|---|---|
| Drug Name | SGI-1776 |
| CAS Number | 1025065-69-3 |
| Groups | investigational |
| ATC Codes | nan |
| Description | SGI-1776 has been used in trials studying the treatment of Prostate Cancer, Non-Hodgkins Lymphoma, and Relapsed/Refractory Leukemias. |
Cross-references: BindingDB: 50364776 ChEBI: 95061 CHEMBL1952329 ChemSpider: 28497930 PubChem:24795070 PubChem:347828729 ZINC: ZINC000068205235
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P11309 | PIM1 | Homo sapiens | Human | PF00069 | 8.2 | IC50 | ChEMBL;BindingDB |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 7.6 | Kd | ChEMBL |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 7.6 | Kd | ChEMBL |
| Q8TF76 | HASPIN | Homo sapiens | Human | PF12330 | 7.5 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |
| Q86V86 | PIM3 | Homo sapiens | Human | PF00069 | 7.2 | IC50 | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.6 | IC50 | ChEMBL;BindingDB |
| Q9P1W9 | PIM2 | Homo sapiens | Human | PF00069 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.3 | Kd | ChEMBL |
| Q12809 | KCNH2 | Homo sapiens | Human | PF00027 PF00520 PF13426 | 6.0 | IC50 | ChEMBL;BindingDB |