Molecule Details
| InChIKey | AITZHKQVQNLKHI-UHFFFAOYSA-N |
|---|---|
| Compound Name | 2-(4-(Aminomethyl)piperidin-1-YL)-N-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-C]pyrazol-5-YL)acetamide |
| Canonical SMILES | NCC1CCN(CC(=O)Nc2cccc3c2C(=O)c2c-3n[nH]c2C2CCCCC2)CC1 |
| Clinical Status | Clinical Multi-Target |
| Targets (Human+Pathogen) | 5 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.9 |
| Source | ChEMBL;TTD_MultiTarget |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07618 |
|---|---|
| Drug Name | 2-(4-(AMINOMETHYL)PIPERIDIN-1-YL)-N-(3_CYCLOHEXYL-4-OXO-2,4-DIHYDROINDENO[1,2-C]PYRAZOL-5-YL)ACETAMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 5634 CHEMBL356700 ChemSpider: 4450262 PDB: D31 PubChem:5288017 PubChem:99444089 ZINC: ZINC000016051801
Target Activities (5)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| O96020 | CCNE2 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P11802 | CDK4 | Homo sapiens | Human | PF00069 | 7.0 | pIC50 | TTD_MultiTarget |
| P24864 | CCNE1 | Homo sapiens | Human | PF02984 PF00134 | 7.0 | IC50 | ChEMBL |
| P24941 | CDK2 | Homo sapiens | Human | PF00069 | 7.0 | pIC50 | TTD_MultiTarget |
| P24385 | CCND1 | Homo sapiens | Human | PF02984 PF00134 | 6.4 | IC50 | ChEMBL |
DrugBank Target Actions (1)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P24941 | CDK2 | Cyclin-dependent kinase 2 | binder | targets |