Molecule Details
| InChIKey | QTJHBCKEZSYXTG-UHFFFAOYSA-N |
|---|---|
| Compound Name | 4-[2-[3-[2-[4-(Cyclopropylmethoxy)-2-pyridinyl]ethynyl]-6,6-dimethyl-11-oxonaphtho[3,2-b][1]benzofuran-8-yl]oxyethyl]piperazin-2-one |
| Canonical SMILES | CC1(C)c2cc(OCCN3CCNC(=O)C3)ccc2C(=O)c2c1oc1cc(C#Cc3cc(OCC4CC4)ccn3)ccc21 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.41 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04629 | NTRK1 | Homo sapiens | Human | PF13855 PF16920 PF07714 PF18613 | 8.7 | IC50 | ChEMBL;BindingDB |
| P06239 | LCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.2 | IC50 | ChEMBL;BindingDB |
| P35968 | KDR | Homo sapiens | Human | PF07679 PF00047 PF13895 PF22971 PF07714 PF21339 PF17988 PF22854 | 6.4 | IC50 | ChEMBL;BindingDB |