Molecule Details
| InChIKey | NKEUPUJTVALZIK-UHFFFAOYSA-N |
|---|---|
| Compound Name | 1-[4-[4-Amino-7-[3-(methylamino)prop-1-ynyl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea |
| Canonical SMILES | CNCC#Cc1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 28 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.02 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (28)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P16234 | PDGFRA | Homo sapiens | Human | PF07679 PF25305 PF07714 | 8.6 | Ki | ChEMBL;BindingDB |
| P09619 | PDGFRB | Homo sapiens | Human | PF00047 PF13927 PF25305 PF07714 | 8.5 | Ki | ChEMBL |
| P07333 | CSF1R | Homo sapiens | Human | PF00047 PF25305 PF07714 | 8.3 | Ki | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 8.3 | Ki | ChEMBL |
| Q96GD4 | AURKB | Homo sapiens | Human | PF00069 | 8.1 | Ki | ChEMBL |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.9 | Ki | ChEMBL |
| P07949 | RET | Homo sapiens | Human | PF00028 PF07714 PF17756 PF17812 PF17813 PF22540 | 7.6 | Ki | ChEMBL |
| P17948 | FLT1 | Homo sapiens | Human | PF07679 PF00047 PF13927 PF22971 PF07714 PF21339 PF17988 PF22854 | 7.4 | Ki | ChEMBL |
| P49336 | CDK8 | Homo sapiens | Human | PF00069 | 7.4 | Ki | ChEMBL |
| Q13464 | ROCK1 | Homo sapiens | Human | PF25346 PF00069 PF08912 | 7.3 | Ki | ChEMBL |
| Q16288 | NTRK3 | Homo sapiens | Human | PF07679 PF00047 PF13855 PF16920 PF01462 PF07714 | 7.2 | Ki | ChEMBL |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| P51955 | NEK2 | Homo sapiens | Human | PF00069 | 7.0 | Ki | ChEMBL |
| Q16620 | NTRK2 | Homo sapiens | Human | PF07679 PF13855 PF16920 PF01462 PF07714 | 7.0 | Ki | ChEMBL |
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 6.8 | Ki | ChEMBL |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.8 | Ki | ChEMBL |
| P11362 | FGFR1 | Homo sapiens | Human | PF07679 PF00047 PF07714 | 6.7 | Ki | ChEMBL |
| P08581 | MET | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.5 | Ki | ChEMBL |
| Q06418 | TYRO3 | Homo sapiens | Human | PF00041 PF07679 PF07714 | 6.4 | Ki | ChEMBL |
| Q7L7X3 | TAOK1 | Homo sapiens | Human | PF00069 | 6.4 | Ki | ChEMBL |
| P29376 | LTK | Homo sapiens | Human | PF12810 PF07714 | 6.3 | Ki | ChEMBL |
| Q04912 | MST1R | Homo sapiens | Human | PF07714 PF01437 PF01403 PF01833 | 6.3 | Ki | ChEMBL |
| Q12851 | MAP4K2 | Homo sapiens | Human | PF00780 PF00069 | 6.3 | Ki | ChEMBL |
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 6.2 | Ki | ChEMBL |
| P51812 | RPS6KA3 | Homo sapiens | Human | PF00069 PF00433 | 6.1 | Ki | ChEMBL |
| Q14164 | IKBKE | Homo sapiens | Human | PF00069 PF18394 PF18396 | 6.1 | Ki | ChEMBL |
| Q07912 | TNK2 | Homo sapiens | Human | PF09027 PF11555 PF07714 PF22931 PF14604 | 6.0 | Ki | ChEMBL |
| Q5S007 | LRRK2 | Homo sapiens | Human | PF23745 PF23744 PF23748 PF16095 PF25497 PF13855 PF00069 PF08477 | 6.0 | Ki | ChEMBL |