Molecule Details
| InChIKey | UXXQOJXBIDBUAC-UHFFFAOYSA-N |
|---|---|
| Compound Name | Tandutinib |
| Canonical SMILES | COc1cc2c(N3CCN(C(=O)Nc4ccc(OC(C)C)cc4)CC3)ncnc2cc1OCCCN1CCCCC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.98 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB05465 |
|---|---|
| Drug Name | Tandutinib |
| CAS Number | 387867-13-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | MLN518 is a novel, oral, small molecule designed to inhibit type III receptor tyrosine kinases, including FLT3, (platelet-derived growth-factor receptor) PDGFR and c-KIT. Tyrosine kinases are enzymes involved in several cellular processes and are known to be activated in cancer cells to drive tumor ... |
Categories: Heterocyclic Compounds, Fused-Ring Potential QTc-Prolonging Agents QTc Prolonging Agents Tyrosine Kinase Inhibitors
Cross-references: BindingDB: 13535 ChEBI: 90237 CHEMBL124660 ChemSpider: 2302085 PubChem:3038522 PubChem:175427013 ZINC: ZINC000003966243
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.6 | Kd | ChEMBL;BindingDB |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 8.3 | Kd | ChEMBL;BindingDB |
| Q9NSD9 | FARSB | Homo sapiens | Human | PF03483 PF03484 PF18262 PF17759 | 8.2 | Kd | ChEMBL |
| Q9UHD8 | SEPTIN9 | Homo sapiens | Human | PF00735 | 8.0 | Kd | ChEMBL |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 7.6 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.1 | pIC50 | TTD_MultiTarget |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.0 | Kd | ChEMBL;BindingDB |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.9 | Kd | ChEMBL;BindingDB |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.8 | IC50 | ChEMBL;BindingDB |
| P21802 | FGFR2 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.8 | IC50 | ChEMBL |
| P22455 | FGFR4 | Homo sapiens | Human | PF07679 PF13927 PF07714 | 6.8 | IC50 | ChEMBL |
| P22607 | FGFR3 | Homo sapiens | Human | PF21165 PF07679 PF13927 PF07714 | 6.8 | IC50 | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.4 | Kd | ChEMBL;BindingDB |
| Q8NE63 | HIPK4 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9HAZ1 | CLK4 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.3 | Kd | ChEMBL;BindingDB |
| P49759 | CLK1 | Homo sapiens | Human | PF00069 | 6.2 | Kd | ChEMBL;BindingDB |
| Q9Y616 | IRAK3 | Homo sapiens | Human | PF00531 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9Y4K4 | MAP4K5 | Homo sapiens | Human | PF00780 PF00069 | 6.1 | Kd | ChEMBL;BindingDB |