Molecule Details
| InChIKey | XHBVYDAKJHETMP-UHFFFAOYSA-N |
|---|---|
| Compound Name | Dorsomorphin |
| Canonical SMILES | c1cc(-c2cnn3cc(-c4ccc(OCCN5CCCCC5)cc4)cnc23)ccn1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 24 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.24 |
| Source | BindingDB;ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB08597 |
|---|---|
| Drug Name | Dorsomorphin |
| CAS Number | 866405-64-3 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: AMP-Activated Protein Kinases, antagonists & inhibitors Enzyme Inhibitors Protein Kinase Inhibitors
Cross-references: BindingDB: 50262685 ChEBI: 78510 CHEMBL478629 ChemSpider: 9698930 PDB: TAK PubChem:11524144 PubChem:99445068 ZINC: ZINC000013829435
Target Activities (24)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 8.7 | IC50 | ChEMBL;BindingDB |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 8.6 | pIC50 | TTD_MultiTarget |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.0 | IC50 | ChEMBL;BindingDB |
| P29317 | EPHA2 | Homo sapiens | Human | PF14575 PF25599 PF01404 PF00041 PF07714 PF00536 | 8.0 | IC50 | ChEMBL;BindingDB |
| Q9BUB5 | MKNK1 | Homo sapiens | Human | PF00069 | 8.0 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.6 | IC50 | ChEMBL;BindingDB |
| Q13873 | BMPR2 | Homo sapiens | Human | PF01064 PF00069 | 7.1 | IC50 | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.1 | IC50 | ChEMBL;BindingDB |
| O43741 | PRKAB2 | Homo sapiens | Human | PF16561 PF04739 | 7.0 | IC50 | ChEMBL |
| P36894 | BMPR1A | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.0 | IC50 | ChEMBL;BindingDB |
| P54619 | PRKAG1 | Homo sapiens | Human | PF00571 | 7.0 | IC50 | ChEMBL |
| Q13131 | PRKAA1 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.0 | IC50 | ChEMBL |
| Q9UGI9 | PRKAG3 | Homo sapiens | Human | PF00571 | 7.0 | IC50 | ChEMBL |
| Q9UGJ0 | PRKAG2 | Homo sapiens | Human | PF00571 | 7.0 | IC50 | ChEMBL |
| Q04771 | ACVR1 | Homo sapiens | Human | PF01064 PF07714 PF08515 | 7.0 | IC50 | ChEMBL;BindingDB |
| P37173 | TGFBR2 | Homo sapiens | Human | PF08917 PF07714 | 7.0 | IC50 | ChEMBL;BindingDB |
| P37023 | ACVRL1 | Homo sapiens | Human | PF07714 PF08515 | 7.0 | IC50 | ChEMBL;BindingDB |
| P54646 | PRKAA2 | Homo sapiens | Human | PF16579 PF21147 PF00069 | 7.0 | IC50 | ChEMBL |
| Q15418 | RPS6KA1 | Homo sapiens | Human | PF00069 PF00433 | 6.7 | IC50 | ChEMBL;BindingDB |
| O00238 | BMPR1B | Homo sapiens | Human | PF01064 PF07714 PF08515 | 6.6 | IC50 | ChEMBL;BindingDB |
| P49760 | CLK2 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | BindingDB |
| Q9Y478 | PRKAB1 | Homo sapiens | Human | PF16561 PF04739 | 6.6 | IC50 | ChEMBL;BindingDB |
| P12644 | BMP4 | Homo sapiens | Human | PF00019 PF00688 | 6.4 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (5)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P62942 | FKBP1A | Peptidyl-prolyl cis-trans isomerase FKBP1A | binder | targets |
| Q04771 | ACVR1 | Activin receptor type-1 | binder | targets |
| P54619 | PRKAG1 | 5'-AMP-activated protein kinase subunit gamma-1 | inhibitor | targets |
| Q13131 | PRKAA1 | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | inhibitor | targets |
| Q9Y478 | PRKAB1 | 5'-AMP-activated protein kinase subunit beta-1 | inhibitor | targets |