Molecule Details
| InChIKey | XWWRLKIBRPJQJX-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-Anilino-6-cyclohexylmethoxypurine |
| Canonical SMILES | c1ccc(Nc2nc(OCC3CCCCC3)c3[nH]cnc3n2)cc1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.01 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB06948 |
|---|---|
| Drug Name | 2-ANILINO-6-CYCLOHEXYLMETHOXYPURINE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 5530 CHEMBL122264 ChemSpider: 1485 PDB: 2A6 PubChem:1540 PubChem:99443419
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.0 | pIC50 | TTD_MultiTarget |
| P20248 | CCNA2 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 6.0 | pIC50 | TTD_MultiTarget |
| P78396 | CCNA1 | Homo sapiens | Human | PF02984 PF00134 PF16500 | 6.0 | IC50 | ChEMBL |