Molecule Details
| InChIKey | JYRJOQGKGMHTOO-VURMDHGXSA-N |
|---|---|
| Compound Name | Debromohymenialdisine |
| Canonical SMILES | NC1=N/C(=C2/CCNC(=O)c3[nH]ccc32)C(=O)N1 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 11 |
| Pfam Stratification | Cross-Family |
| Avg pChEMBL | 6.49 |
| Source | ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB04367 |
|---|---|
| Drug Name | Debromohymenialdisine |
| CAS Number | 125118-55-0 |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Categories: Protein Kinase C, antagonists & inhibitors
Cross-references: BindingDB: 16591 CHEMBL255465 ChemSpider: 4450275 PDB: DBQ PubChem:5288032 PubChem:46505283 ZINC: ZINC000017836932
Target Activities (11)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| Q00535 | CDK5 | Homo sapiens | Human | PF00069 | 7.0 | IC50 | ChEMBL |
| Q15078 | CDK5R1 | Homo sapiens | Human | PF03261 | 7.0 | IC50 | ChEMBL |
| O96017 | CHEK2 | Homo sapiens | Human | PF00498 PF00069 | 6.7 | IC50 | ChEMBL |
| O95067 | CCNB2 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| P06493 | CDK1 | Homo sapiens | Human | PF00069 | 6.6 | IC50 | ChEMBL |
| P14635 | CCNB1 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| Q8WWL7 | CCNB3 | Homo sapiens | Human | PF02984 PF00134 | 6.6 | IC50 | ChEMBL |
| O14757 | CHEK1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P28482 | MAPK1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| Q02750 | MAP2K1 | Homo sapiens | Human | PF00069 | 6.1 | IC50 | ChEMBL |
| P04049 | RAF1 | Homo sapiens | Human | PF00130 PF07714 PF02196 | 6.0 | IC50 | ChEMBL |
DrugBank Target Actions (7)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P49759 | CLK1 | Dual specificity protein kinase CLK1 | binder | targets |
| Q07912 | TNK2 | Activated CDC42 kinase 1 | binder | targets |
| O14757 | CHEK1 | Serine/threonine-protein kinase Chk1 | inhibitor | targets |
| O96017 | CHEK2 | Serine/threonine-protein kinase Chk2 | inhibitor | targets |
| P04049 | RAF1 | RAF proto-oncogene serine/threonine-protein kinase | inhibitor | targets |
| P28482 | MAPK1 | Mitogen-activated protein kinase 1 | inhibitor | targets |
| Q02750 | MAP2K1 | Dual specificity mitogen-activated protein kinase kinase 1 | inhibitor | targets |