Molecule Details
| InChIKey | MVCOAUNKQVWQHZ-UHFFFAOYSA-N |
|---|---|
| Compound Name | Doramapimod |
| Canonical SMILES | Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 54 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.82 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB03044 |
|---|---|
| Drug Name | Doramapimod |
| CAS Number | 285983-48-4 |
| Groups | investigational |
| ATC Codes | nan |
| Description | Doramapimod is a P38 MAP kinase inhibitor. |
Categories: Amides Benzene Derivatives Protein Kinase Inhibitors
Cross-references: BindingDB: 13533 ChEBI: 40953 CHEMBL103667 ChemSpider: 137746 D03736 PDB: B96 PubChem:156422 PubChem:46506062 ZINC: ZINC000024044436
Target Activities (54)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P28223 | HTR2A | Homo sapiens | Human | PF00001 | 9.4 | Kd | BindingDB |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 8.7 | Kd | ChEMBL;BindingDB |
| P45984 | MAPK9 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| Q15759 | MAPK11 | Homo sapiens | Human | PF00069 | 8.1 | Kd | ChEMBL;BindingDB |
| Q16539 | MAPK14 | Homo sapiens | Human | PF00069 | 8.1 | IC50 | ChEMBL;BindingDB |
| P35590 | TIE1 | Homo sapiens | Human | PF00041 PF00047 PF07714 | 8.1 | Kd | ChEMBL;BindingDB |
| O94804 | STK10 | Homo sapiens | Human | PF00069 PF12474 | 7.9 | Kd | ChEMBL;BindingDB |
| Q02763 | TEK | Homo sapiens | Human | PF00041 PF10430 PF07714 | 7.7 | Kd | ChEMBL;BindingDB |
| P53778 | MAPK12 | Homo sapiens | Human | PF00069 | 7.5 | IC50 | ChEMBL;BindingDB |
| Q16832 | DDR2 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 7.5 | Kd | ChEMBL;BindingDB |
| P04792 | HSPB1 | Homo sapiens | Human | PF00011 | 7.2 | IC50 | ChEMBL;BindingDB |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.2 | Kd | ChEMBL;BindingDB |
| P54764 | EPHA4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF07647 | 7.2 | IC50 | ChEMBL;BindingDB |
| O15264 | MAPK13 | Homo sapiens | Human | PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P15056 | BRAF | Homo sapiens | Human | PF00130 PF07714 PF02196 | 7.1 | IC50 | ChEMBL;BindingDB |
| P53779 | MAPK10 | Homo sapiens | Human | PF00069 | 7.1 | Kd | ChEMBL;BindingDB |
| O95819 | MAP4K4 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | Kd | ChEMBL;BindingDB |
| P54756 | EPHA5 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 7.0 | IC50 | ChEMBL;BindingDB |
| P54762 | EPHB1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q8N4C8 | MINK1 | Homo sapiens | Human | PF00780 PF00069 | 7.0 | IC50 | ChEMBL;BindingDB |
| Q9UKE5 | TNIK | Homo sapiens | Human | PF00780 PF00069 | 6.8 | Kd | ChEMBL;BindingDB |
| O43318 | MAP3K7 | Homo sapiens | Human | PF07714 | 6.8 | Kd | ChEMBL;BindingDB |
| Q9H2G2 | SLK | Homo sapiens | Human | PF00069 PF12474 | 6.8 | Kd | ChEMBL;BindingDB |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.8 | IC50 | ChEMBL;BindingDB |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 6.7 | Kd | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.7 | Ki | ChEMBL |
| Q9BWU1 | CDK19 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 6.7 | Kd | ChEMBL;BindingDB |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.6 | Kd | ChEMBL;BindingDB |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 6.6 | Kd | ChEMBL;BindingDB |
| P29322 | EPHA8 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 6.6 | Kd | ChEMBL;BindingDB |
| P35916 | FLT4 | Homo sapiens | Human | PF07679 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.6 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.5 | IC50 | ChEMBL;BindingDB |
| P42685 | FRK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL;BindingDB |
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 6.4 | Kd | ChEMBL;BindingDB |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | Kd | ChEMBL;BindingDB |
| Q9UF33 | EPHA6 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.4 | Kd | ChEMBL;BindingDB |
| P29323 | EPHB2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.4 | Kd | ChEMBL;BindingDB |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 6.2 | Kd | ChEMBL;BindingDB |
| P21709 | EPHA1 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.2 | IC50 | ChEMBL;BindingDB |
| P51451 | BLK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.2 | Kd | ChEMBL;BindingDB |
| Q15375 | EPHA7 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.1 | Kd | ChEMBL;BindingDB |
| Q9NYL2 | MAP3K20 | Homo sapiens | Human | PF07714 PF07647 | 6.1 | Kd | ChEMBL;BindingDB |
| P29320 | EPHA3 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF07647 | 6.1 | Kd | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| P54760 | EPHB4 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF07699 PF00041 PF07714 PF00536 | 6.0 | IC50 | ChEMBL;BindingDB |
| Q15750 | TAB1 | Homo sapiens | Human | PF00481 | 6.0 | IC50 | ChEMBL |
| Q9Y5S2 | CDC42BPB | Homo sapiens | Human | PF00130 PF00780 PF08826 PF15796 PF25346 PF00069 | 6.0 | Kd | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.0 | IC50 | ChEMBL;BindingDB |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.0 | Kd | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| Q14289 | PTK2B | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| Q8NFD2 | ANKK1 | Homo sapiens | Human | PF00023 PF12796 PF13637 PF07714 | 6.0 | Kd | ChEMBL;BindingDB |
| Q9UBE8 | NLK | Homo sapiens | Human | PF00069 | 6.0 | Kd | ChEMBL;BindingDB |