Molecule Details
| InChIKey | UORAPQCBWYIISR-IAGOWNOFSA-N |
|---|---|
| Compound Name | US10844038, Example 46 B. |
| Canonical SMILES | Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C[C@H]1SSC[C@H]1O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 13 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.01 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (13)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06241 | FYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| P07947 | YES1 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| P07948 | LYN | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| P08631 | HCK | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| P36888 | FLT3 | Homo sapiens | Human | PF00047 PF07714 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 7.3 | Kd | ChEMBL;BindingDB |
| Q06187 | BTK | Homo sapiens | Human | PF00779 PF00169 PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q13882 | PTK6 | Homo sapiens | Human | PF07714 PF00017 PF00018 | 7.3 | IC50 | ChEMBL;BindingDB |
| Q15303 | ERBB4 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.3 | IC50 | ChEMBL;BindingDB |
| O14965 | AURKA | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL;BindingDB |
| P09769 | FGR | Homo sapiens | Human | PF07714 PF00017 PF00018 | 6.1 | IC50 | ChEMBL;BindingDB |
| P36507 | MAP2K2 | Homo sapiens | Human | PF00069 | 6.1 | Kd | ChEMBL;BindingDB |