Molecule Details
| InChIKey | CAHQAXRCSXNZRF-UHFFFAOYSA-N |
|---|---|
| Compound Name | [3-[4-Amino-5-(3-methoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]cyclobutyl]methanol |
| Canonical SMILES | COc1cccc(-c2cn(C3CC(CO)C3)c3ncnc(N)c23)c1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.89 |
| Source | ChEMBL;BindingDB;TTD_MultiTarget |
2D Structure
Activity Profile
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P00519 | ABL1 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.4 | IC50 | ChEMBL;BindingDB |
| P42684 | ABL2 | Homo sapiens | Human | PF08919 PF07714 PF00017 PF00018 | 7.4 | IC50 | ChEMBL |
| P00533 | EGFR | Homo sapiens | Human | PF00757 PF14843 PF07714 PF01030 PF21314 | 6.4 | IC50 | ChEMBL;BindingDB |
| P18505 | GABRB1 | Homo sapiens | Human | PF02931 PF02932 | 6.4 | pIC50 | TTD_MultiTarget |
| P12931 | SRC | Homo sapiens | Human | PF07714 PF00017 PF00018 | Clinical | TTD_MultiTarget | TTD_MultiTarget |