Molecule Details
| InChIKey | AUHWQSZMVMMRLM-UHFFFAOYSA-N |
|---|---|
| Compound Name | Isoquinoline-5-sulfonic acid (2-(2-(4-chlorobenzyloxy)ethylamino)ethyl)amide |
| Canonical SMILES | O=S(=O)(NCCNCCOCc1ccc(Cl)cc1)c1cccc2cnccc12 |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 4 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 6.72 |
| Source | ChEMBL;BindingDB |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB07947 |
|---|---|
| Drug Name | ISOQUINOLINE-5-SULFONIC ACID (2-(2-(4-CHLOROBENZYLOXY)ETHYLAMINO)ETHYL)AMIDE |
| CAS Number | nan |
| Groups | experimental |
| ATC Codes | nan |
| Description | nan |
Cross-references: BindingDB: 16222 CHEMBL227381 ChemSpider: 4484360 PDB: I5S PubChem:5327109 PubChem:99444418 ZINC: ZINC000003986659
Target Activities (4)
| Target | Gene | Organism | Category | Pfam | pChEMBL | Type | Source |
|---|---|---|---|---|---|---|---|
| P17612 | PRKACA | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P22612 | PRKACG | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P22694 | PRKACB | Homo sapiens | Human | PF00069 | 6.8 | IC50 | ChEMBL |
| P31751 | AKT2 | Homo sapiens | Human | PF00169 PF00069 PF00433 | 6.6 | IC50 | ChEMBL;BindingDB |
DrugBank Target Actions (4)
| Target | Gene | Target Name | Action | Type |
|---|---|---|---|---|
| P17612 | PRKACA | cAMP-dependent protein kinase catalytic subunit alpha | binder | targets |
| P31751 | AKT2 | RAC-beta serine/threonine-protein kinase | binder | targets |
| P49841 | GSK3B | Glycogen synthase kinase-3 beta | binder | targets |
| P61925 | P61925 | cAMP-dependent protein kinase inhibitor alpha | binder | targets |