Molecule Details
| InChIKey | JTVILUUAQWQWBK-IYARVYRRSA-N |
|---|---|
| Canonical SMILES | N[C@H]1CC[C@H](Nc2nc(NCc3ccccc3)c3ncn(C4CCCC4)c3n2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 8 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 7.3 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04288 |
|---|---|
| Drug Name | 2-[Trans-(4-Aminocyclohexyl)Amino]-6-(Benzyl-Amino)-9-Cyclopentylpurine |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 11460 CHEMBL150261 ChemSpider: 16744044 PDB: I17 PubChem:3543 PubChem:46506715
Target Activities (8)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.3 | pIC50 | TTD_MultiTarget |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 7.3 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P24941 | CDK2 | Cyclin-dependent kinase 2 | binder | targets |