Molecule Details
| InChIKey | BLQYVHBZHAISJM-CMDGGOBGSA-N |
|---|---|
| Compound Name | Enmd-2076 |
| Canonical SMILES | Cc1cc(Nc2cc(N3CCN(C)CC3)nc(/C=C/c3ccccc3)n2)n[nH]1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 21 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.22 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB16891 |
|---|---|
| Drug Name | ENMD-981693 |
| CAS Number | 934353-76-1 |
| Groups | investigational |
| ATC Codes | nan |
| Description | nan |
Categories: Protein Kinase Inhibitors
Cross-references: CHEMBL482968 ChemSpider: 13169969 PDB: J3A ZINC: ZINC000034885047
Target Activities (21)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 8.6 | IC50 | ChEMBL |
| P08240 | SRPRA | Homo sapiens | Human | PF04086 PF00448 PF02881 | 8.1 | Kd | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.8 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.8 | IC50 | ChEMBL |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.7 | IC50 | ChEMBL |
| Q02161 | RHD | Homo sapiens | Human | PF00909 | 7.7 | pIC50 | TTD_MultiTarget |
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 7.6 | IC50 | ChEMBL |
| O75716 | STK16 | Homo sapiens | Human | PF00069 | 7.4 | pIC50 | TTD_MultiTarget |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 7.4 | pIC50 | TTD_MultiTarget |
| Q05397 | PTK2 | Homo sapiens | Human | PF21477 PF00373 PF18038 PF03623 PF07714 | 7.3 | IC50 | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.2 | IC50 | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 7.1 | IC50 | ChEMBL |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 7.1 | pIC50 | TTD_MultiTarget |
| P10721 | KIT | Homo sapiens | Human | PF00047 PF07714 | 6.9 | IC50 | ChEMBL |
| O00444 | PLK4 | Homo sapiens | Human | PF00069 PF18190 PF18409 | 6.9 | Kd | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.8 | IC50 | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.7 | Kd | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 6.5 | IC50 | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.4 | Kd | ChEMBL |
| Q6PHR2 | ULK3 | Homo sapiens | Human | PF04212 PF00069 | 6.3 | Kd | ChEMBL |
| Q08345 | DDR1 | Homo sapiens | Human | PF21114 PF00754 PF07714 | 6.1 | Kd | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| O14965 | AURKA | Aurora kinase A | inhibitor | targets |