Molecule Details
| InChIKey | MGGBYMDAPCCKCT-UHFFFAOYSA-N |
|---|---|
| Compound Name | Asp-3026 |
| Canonical SMILES | COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncnc(Nc2ccccc2S(=O)(=O)C(C)C)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 23 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.08 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12729 |
|---|---|
| Drug Name | ASP-3026 |
| CAS Number | 1097917-15-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | ASP3026 has been used in trials studying the treatment of Solid Tumor, B-Cell Lymphoma, Advanced Malignancies, Positive for Anaplastic Lymphoma Kinase, and Positive for Proto-Oncogene Tyrosine-Protein Kinase ROS. |
Categories: Sulfur Compounds
Cross-references: BindingDB: 209865 CHEMBL3545360 ChemSpider: 28424239 PDB: F6O PubChem:25134326 PubChem:347828923 ZINC: ZINC000068120928
Target Activities (23)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 8.3 | IC50 | ChEMBL |
| P06748 | NPM1 | Homo sapiens | Human | PF16276 PF03066 | 8.2 | IC50 | ChEMBL |
| P08922 | ROS1 | Homo sapiens | Human | PF00041 PF07714 | 8.1 | IC50 | ChEMBL |
| Q9BZE4 | GTPBP4 | Homo sapiens | Human | PF06858 PF17835 PF08155 | 8.1 | Kd | ChEMBL |
| Q9UM73 | ALK | Homo sapiens | Human | PF12810 PF00629 PF07714 | 8.0 | IC50 | ChEMBL |
| Q13470 | TNK1 | Homo sapiens | Human | PF07714 PF22931 | 7.5 | IC50 | ChEMBL |
| Q9HC35 | EML4 | Homo sapiens | Human | PF23409 PF23414 PF03451 | 7.4 | IC50 | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 7.2 | IC50 | ChEMBL |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | Kd | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 7.2 | Kd | ChEMBL |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.1 | Kd | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.1 | IC50 | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 7.0 | Kd | ChEMBL |
| Q9H0K1 | SIK2 | Homo sapiens | Human | PF00069 PF23312 | 6.9 | Kd | ChEMBL |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.9 | IC50 | ChEMBL |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.6 | Kd | ChEMBL |
| P16591 | FER | Homo sapiens | Human | PF00611 PF07714 PF00017 | 6.4 | Kd | ChEMBL |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 6.3 | Kd | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.2 | Kd | ChEMBL |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.2 | Kd | BindingDB |
| Q13557 | CAMK2D | Homo sapiens | Human | PF08332 PF00069 | 6.2 | Kd | ChEMBL |
| Q6ZSR9 | Homo sapiens | Human | PF15282 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| Q9UM73 | ALK | ALK tyrosine kinase receptor | modulator | targets |