Molecule Details
| InChIKey | IVRXNBXKWIJUQB-UHFFFAOYSA-N |
|---|---|
| Compound Name | Galunisertib |
| Canonical SMILES | Cc1cccc(-c2nn3c(c2-c2ccnc4ccc(C(N)=O)cc24)CCC3)n1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 10 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.95 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB11911 |
|---|---|
| Drug Name | Galunisertib |
| CAS Number | 700874-72-2 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Galunisertib has been used in trials studying the basic science and treatment of Glioma, Neoplasms, Solid Tumor, GLIOBLASTOMA, and Prostate Cancer, among others. |
Categories: Heterocyclic Compounds, Fused-Ring
Cross-references: BindingDB: 50015640 ChEBI: 137064 CHEMBL2364611 ChemSpider: 8266022 PubChem:10090485 PubChem:347828243 Wikipedia: Galunisertib ZINC: ZINC000003959536
Target Activities (10)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q9Y572 | RIPK3 | Homo sapiens | Human | PF00069 PF12721 | 8.0 | Kd | ChEMBL |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 7.8 | Kd | ChEMBL |
| O43353 | RIPK2 | Homo sapiens | Human | PF00619 PF07714 | 7.4 | IC50 | ChEMBL;BindingDB |
| P61812 | TGFB2 | Homo sapiens | Human | PF00019 PF00688 | 7.2 | IC50 | ChEMBL |
| P36897 | TGFBR1 | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.9 | IC50 | ChEMBL;BindingDB |
| P36896 | ACVR1B | Homo sapiens | Human | PF01064 PF00069 PF08515 | 6.7 | IC50 | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 6.6 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | IC50 | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 6.3 | IC50 | ChEMBL;BindingDB |
| O14976 | GAK | Homo sapiens | Human | PF00069 PF10409 | 6.3 | Kd | ChEMBL |