Molecule Details
| InChIKey | OJCVSCAUEKBQAE-UHFFFAOYSA-N |
|---|---|
| Compound Name | Egfr/her2/dhfr-IN-1 |
| Canonical SMILES | CC(=O)NNC(=O)c1csc2ncc(-c3ccc(Br)cc3)n12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 3 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.78 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
Target Activities (3)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P04626 | ERBB2 | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 7.0 | IC50 | ChEMBL;BindingDB |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.8 | IC50 | ChEMBL;BindingDB |
| P00374 | DHFR | Homo sapiens | Human | PF00186 | 6.5 | IC50 | ChEMBL;BindingDB |